BindingDB Reactant_set_id Ligand SMILES Ligand InChI Ligand InChI Key BindingDB MonomerID BindingDB Ligand Name Target Name Target Source Organism According to Curator or DataSource Ki (nM) IC50 (nM) Kd (nM) EC50 (nM) kon (M-1-s-1) koff (s-1) pH Temp (C) Curation/DataSource Article DOI BindingDB Entry DOI PMID PubChem AID Patent Number Authors Institution Link to Ligand in BindingDB Link to Target in BindingDB Link to Ligand-Target Pair in BindingDB Ligand HET ID in PDB PDB ID(s) for Ligand-Target Complex PubChem CID of Ligand PubChem SID of Ligand ChEBI ID of Ligand ChEMBL ID of Ligand DrugBank ID of Ligand IUPHAR_GRAC ID of Ligand KEGG ID of Ligand ZINC ID of Ligand Number of Protein Chains in Target (>1 implies a multichain complex) BindingDB Target Chain Sequence PDB ID(s) of Target Chain UniProt (SwissProt) Recommended Name of Target Chain UniProt (SwissProt) Entry Name of Target Chain UniProt (SwissProt) Primary ID of Target Chain UniProt (SwissProt) Secondary ID(s) of Target Chain UniProt (SwissProt) Alternative ID(s) of Target Chain UniProt (TrEMBL) Submitted Name of Target Chain UniProt (TrEMBL) Entry Name of Target Chain UniProt (TrEMBL) Primary ID of Target Chain UniProt (TrEMBL) Secondary ID(s) of Target Chain UniProt (TrEMBL) Alternative ID(s) of Target Chain 158992 CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(O)=O InChI=1S/C154H248N42O44S/c1-17-82(10)123(150(235)191-121(80(6)7)148(233)181-98(43-28-33-60-159)133(218)185-108(69-115(163)205)138(223)170-83(11)127(212)182-107(68-91-71-165-77-169-91)143(228)177-95(40-25-30-57-156)131(216)174-94(39-24-29-56-155)130(215)168-74-119(209)172-102(154(239)240)50-53-114(162)204)192-128(213)84(12)171-139(224)109(70-116(164)206)184-132(217)96(41-26-31-58-157)176-142(227)106(67-89-37-22-19-23-38-89)183-140(225)103(63-78(2)3)187-151(236)125(86(14)200)194-149(234)122(81(8)9)190-144(229)104(64-79(4)5)186-147(232)112-44-34-61-196(112)153(238)126(87(15)201)195-136(221)99(49-52-113(161)203)178-145(230)110(75-197)188-134(219)97(42-27-32-59-158)175-135(220)100(51-54-120(210)211)179-146(231)111(76-198)189-152(237)124(85(13)199)193-137(222)101(55-62-241-16)180-141(226)105(66-88-35-20-18-21-36-88)173-118(208)73-166-117(207)72-167-129(214)93(160)65-90-45-47-92(202)48-46-90/h18-23,35-38,45-48,71,77-87,93-112,121-126,197-202H,17,24-34,39-44,49-70,72-76,155-160H2,1-16H3,(H2,161,203)(H2,162,204)(H2,163,205)(H2,164,206)(H,165,169)(H,166,207)(H,167,214)(H,168,215)(H,170,223)(H,171,224)(H,172,209)(H,173,208)(H,174,216)(H,175,220)(H,176,227)(H,177,228)(H,178,230)(H,179,231)(H,180,226)(H,181,233)(H,182,212)(H,183,225)(H,184,217)(H,185,218)(H,186,232)(H,187,236)(H,188,219)(H,189,237)(H,190,229)(H,191,235)(H,192,213)(H,193,222)(H,194,234)(H,195,221)(H,210,211)(H,239,240)/t82-,83-,84-,85+,86+,87+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,121-,122-,123-,124-,125-,126-/m0/s1 WAGZGJMGRRVHFE-XTLYPBBASA-N 81934 Beta-Endorphin Mu-type opioid receptor Caleucoela sp. 2 MB402 24 PDSP Ki 10.7270/Q2NC5ZPR 6248635 Leslie, FM; Chavkin, C; Cox, BM Stanford University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81934&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 16144003 131342508 C02716 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 158993 CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(O)=O InChI=1S/C154H248N42O44S/c1-17-82(10)123(150(235)191-121(80(6)7)148(233)181-98(43-28-33-60-159)133(218)185-108(69-115(163)205)138(223)170-83(11)127(212)182-107(68-91-71-165-77-169-91)143(228)177-95(40-25-30-57-156)131(216)174-94(39-24-29-56-155)130(215)168-74-119(209)172-102(154(239)240)50-53-114(162)204)192-128(213)84(12)171-139(224)109(70-116(164)206)184-132(217)96(41-26-31-58-157)176-142(227)106(67-89-37-22-19-23-38-89)183-140(225)103(63-78(2)3)187-151(236)125(86(14)200)194-149(234)122(81(8)9)190-144(229)104(64-79(4)5)186-147(232)112-44-34-61-196(112)153(238)126(87(15)201)195-136(221)99(49-52-113(161)203)178-145(230)110(75-197)188-134(219)97(42-27-32-59-158)175-135(220)100(51-54-120(210)211)179-146(231)111(76-198)189-152(237)124(85(13)199)193-137(222)101(55-62-241-16)180-141(226)105(66-88-35-20-18-21-36-88)173-118(208)73-166-117(207)72-167-129(214)93(160)65-90-45-47-92(202)48-46-90/h18-23,35-38,45-48,71,77-87,93-112,121-126,197-202H,17,24-34,39-44,49-70,72-76,155-160H2,1-16H3,(H2,161,203)(H2,162,204)(H2,163,205)(H2,164,206)(H,165,169)(H,166,207)(H,167,214)(H,168,215)(H,170,223)(H,171,224)(H,172,209)(H,173,208)(H,174,216)(H,175,220)(H,176,227)(H,177,228)(H,178,230)(H,179,231)(H,180,226)(H,181,233)(H,182,212)(H,183,225)(H,184,217)(H,185,218)(H,186,232)(H,187,236)(H,188,219)(H,189,237)(H,190,229)(H,191,235)(H,192,213)(H,193,222)(H,194,234)(H,195,221)(H,210,211)(H,239,240)/t82-,83-,84-,85+,86+,87+,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,121-,122-,123-,124-,125-,126-/m0/s1 WAGZGJMGRRVHFE-XTLYPBBASA-N 81934 Beta-Endorphin Mu-type opioid receptor Caleucoela sp. 2 MB402 200 PDSP Ki 10.7270/Q2NC5ZPR 6248635 Leslie, FM; Chavkin, C; Cox, BM Stanford University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=81934 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=81934&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 16144003 131342508 C02716 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 158996 CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1 ZHUJMSMQIPIPTF-IBURTVSXSA-N 21025 (2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanamido]-4-methylpentanoic acid::(D-Ala2,D-Leu5)-Enkephalin::BW-180C::CHEMBL340032::DADLE::DADLE-OH::H-Tyr-D-Ala-Gly-Phe-D-Leu-OH::[D-Ala2-D-Leu5]enkephalin Mu-type opioid receptor Caleucoela sp. 2 MB402 5.1 PDSP Ki 10.7270/Q2NC5ZPR 6248635 Leslie, FM; Chavkin, C; Cox, BM Stanford University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21025&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 6917707 49689098 CHEMBL340032 ZINC14952092 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 158997 CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24-/m1/s1 ZHUJMSMQIPIPTF-IBURTVSXSA-N 21025 (2R)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanamido]-4-methylpentanoic acid::(D-Ala2,D-Leu5)-Enkephalin::BW-180C::CHEMBL340032::DADLE::DADLE-OH::H-Tyr-D-Ala-Gly-Phe-D-Leu-OH::[D-Ala2-D-Leu5]enkephalin Mu-type opioid receptor Caleucoela sp. 2 MB402 14.2 PDSP Ki 10.7270/Q2NC5ZPR 6248635 Leslie, FM; Chavkin, C; Cox, BM Stanford University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=21025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=21025&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 6917707 49689098 CHEMBL340032 ZINC14952092 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 158999 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24+/m1/s1 ZHUJMSMQIPIPTF-JMBSJVKXSA-N 82090 DALLE Mu-type opioid receptor Caleucoela sp. 2 MB402 16.4 PDSP Ki 10.7270/Q2NC5ZPR 6248635 Leslie, FM; Chavkin, C; Cox, BM Stanford University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82090&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 10099522 131342664 ZINC14952096 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 159000 CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24+/m1/s1 ZHUJMSMQIPIPTF-JMBSJVKXSA-N 82090 DALLE Mu-type opioid receptor Caleucoela sp. 2 MB402 85 PDSP Ki 10.7270/Q2NC5ZPR 6248635 Leslie, FM; Chavkin, C; Cox, BM Stanford University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=82090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=82090&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 10099522 131342664 ZINC14952096 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 159002 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1 IJVCSMSMFSCRME-OONJBDFYSA-N 50021325 4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-triene-10,14-diol(DHM)::CHEMBL1281::DIHYDROMORPHINE Mu-type opioid receptor Caleucoela sp. 2 MB402 1.7 PDSP Ki 10.7270/Q2NC5ZPR 6248635 Leslie, FM; Chavkin, C; Cox, BM Stanford University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50021325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50021325&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 25126776 103932033 CHEMBL1281 ZINC27625757 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 159003 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1C3CC[C@@H]4O)ccc5O InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10?,11-,13+,16+,17+/m1/s1 IJVCSMSMFSCRME-OONJBDFYSA-N 50021325 4-methyl-(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-triene-10,14-diol(DHM)::CHEMBL1281::DIHYDROMORPHINE Mu-type opioid receptor Caleucoela sp. 2 MB402 13.2 PDSP Ki 10.7270/Q2NC5ZPR 6248635 Leslie, FM; Chavkin, C; Cox, BM Stanford University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50021325 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50021325&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 25126776 103932033 CHEMBL1281 ZINC27625757 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 159005 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 BQJCRHHNABKAKU-KBQPJGBKSA-N 50000092 (-)-(etorphine)::(-)-morphine::(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::(Morphine)::(Morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::(morphine) 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::1N-[2-(5-dimethylaminomethyl-2-furylmethylsulfanyl)ethyl]-1N-methyl-2-nitro-(Z)-1-ethene-1,1-diamine::2-[2-{2-[2-(2-Amino-3-phenyl-propionylamino)-acetylamino]-acetylamino}-3-(4-hydroxy-phenyl)-propionylamino]-4-methylsulfanyl-butyric acid::2-{4-[2,4-diamino-6-pteridinylmethyl(methyl)amino]phenylcarboxamido}pentanedioic acid(morphine)::3-(4-Hydroxy-phenyl)-1-propyl-piperidine-3-carboxylic acid ethyl ester::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol ; HydroChloride::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol ;sulphate salt(morphine)::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol((Morphine))::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(Morphine sulfate)::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(Morphine)(HCl)::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(morphine)::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol,sulfate(Morphinesulfate)::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diolMorphine::4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol (morphine)::4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(Morphine)::6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol(Morphine)::6-tert-Butyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocine::7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol(morphine)::AMBENYL::AVINZA::Analog of 14-(Arylhydroxyamino)codeinone::BDB50000092::BROMANYL::CHEMBL70::CODRIX::DEPODUR::DIMETANE-DC::INFUMORPH::KADIAN::MORPHINE::MYBANIL::Morphine;4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::TRIACIN-C::US9133125, Table D, morphine Mu-type opioid receptor Caleucoela sp. 2 MB402 4.8 PDSP Ki 10.7270/Q2NC5ZPR 6248635 Leslie, FM; Chavkin, C; Cox, BM Stanford University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000092&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search MOI 8EF6,1Q0Y,7U62 5288826 103914789 17303 CHEMBL70 DB00295 1627 C01516 ZINC03812983 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 159006 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 BQJCRHHNABKAKU-KBQPJGBKSA-N 50000092 (-)-(etorphine)::(-)-morphine::(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::(Morphine)::(Morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::(morphine) 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::1N-[2-(5-dimethylaminomethyl-2-furylmethylsulfanyl)ethyl]-1N-methyl-2-nitro-(Z)-1-ethene-1,1-diamine::2-[2-{2-[2-(2-Amino-3-phenyl-propionylamino)-acetylamino]-acetylamino}-3-(4-hydroxy-phenyl)-propionylamino]-4-methylsulfanyl-butyric acid::2-{4-[2,4-diamino-6-pteridinylmethyl(methyl)amino]phenylcarboxamido}pentanedioic acid(morphine)::3-(4-Hydroxy-phenyl)-1-propyl-piperidine-3-carboxylic acid ethyl ester::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol ; HydroChloride::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol ;sulphate salt(morphine)::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol((Morphine))::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(Morphine sulfate)::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(Morphine)(HCl)::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(morphine)::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol,sulfate(Morphinesulfate)::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diolMorphine::4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol (morphine)::4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(Morphine)::6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol(Morphine)::6-tert-Butyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocine::7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol(morphine)::AMBENYL::AVINZA::Analog of 14-(Arylhydroxyamino)codeinone::BDB50000092::BROMANYL::CHEMBL70::CODRIX::DEPODUR::DIMETANE-DC::INFUMORPH::KADIAN::MORPHINE::MYBANIL::Morphine;4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::TRIACIN-C::US9133125, Table D, morphine Mu-type opioid receptor Caleucoela sp. 2 MB402 27.5 PDSP Ki 10.7270/Q2NC5ZPR 6248635 Leslie, FM; Chavkin, C; Cox, BM Stanford University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000092&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search MOI 8EF6,1Q0Y,7U62 5288826 103914789 17303 CHEMBL70 DB00295 1627 C01516 ZINC03812983 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 159008 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 UZHSEJADLWPNLE-GRGSLBFTSA-N 50000788 (morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::(naloxone) 4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::(naloxone)4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::(naloxone)4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one (naloxone)::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one( Naloxone)::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one(Naxolone)::4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one(naloxone)C2H2O4::Analog of 14-(Arylhydroxyamino)codeinone::NALOXONE::NARCAN::SUBOXONE::[17-(2,3-3H-2-propenyl)]-4, 5a -epoxy-3,14-dihydroxymorphinan-6-one Mu-type opioid receptor Caleucoela sp. 2 MB402 3.3 PDSP Ki 10.7270/Q2NC5ZPR 6248635 Leslie, FM; Chavkin, C; Cox, BM Stanford University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000788&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 5284596 103915330 7459 DB01183 1676 C07252 ZINC00389747 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 159009 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 UZHSEJADLWPNLE-GRGSLBFTSA-N 50000788 (morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::(naloxone) 4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::(naloxone)4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::(naloxone)4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one (naloxone)::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one( Naloxone)::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one(Naxolone)::4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one(naloxone)C2H2O4::Analog of 14-(Arylhydroxyamino)codeinone::NALOXONE::NARCAN::SUBOXONE::[17-(2,3-3H-2-propenyl)]-4, 5a -epoxy-3,14-dihydroxymorphinan-6-one Mu-type opioid receptor Caleucoela sp. 2 MB402 8.1 PDSP Ki 10.7270/Q2NC5ZPR 6248635 Leslie, FM; Chavkin, C; Cox, BM Stanford University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000788&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 5284596 103915330 7459 DB01183 1676 C07252 ZINC00389747 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 178509 COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)CCC35NC(=O)\C=C/c1ccc(cc1)[N+]([O-])=O InChI=1S/C27H27N3O6/c1-29-14-13-26-23-17-6-9-20(35-2)24(23)36-25(26)19(31)11-12-27(26,21(29)15-17)28-22(32)10-5-16-3-7-18(8-4-16)30(33)34/h3-10,21,25H,11-15H2,1-2H3,(H,28,32)/b10-5-/t21?,25-,26?,27?/m0/s1 VSIGMWSIMODNPX-SCAQGMLASA-N 85396 CACO Mu-type opioid receptor Caleucoela sp. 2 MB402 0.46 PDSP Ki 10.7270/Q2MC8XJC 10087018 McLaughlin, JP; Hill, KP; Jiang, Q; Sebastian, A; Archer, S; Bidlack, JM University of Rochester http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85396 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85396&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 57340108 136351496 ZINC89456287 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 178510 COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)CCC35NC(=O)\C=C/c1ccc(Cl)cc1 InChI=1S/C27H27ClN2O4/c1-30-14-13-26-23-17-6-9-20(33-2)24(23)34-25(26)19(31)11-12-27(26,21(30)15-17)29-22(32)10-5-16-3-7-18(28)8-4-16/h3-10,21,25H,11-15H2,1-2H3,(H,29,32)/b10-5-/t21?,25-,26?,27?/m0/s1 LCRBGGVXFPUISF-SCAQGMLASA-N 85393 14β-(p-chlorocinnamoylamino)-7,8-dihydrocodeinon::CAM Mu-type opioid receptor Caleucoela sp. 2 MB402 0.12 PDSP Ki 10.7270/Q2MC8XJC 10087018 McLaughlin, JP; Hill, KP; Jiang, Q; Sebastian, A; Archer, S; Bidlack, JM University of Rochester http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85393 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85393&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 57340105 136351493 ZINC87722805 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 178511 COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)CCC35NC(=O)\C=C/c1ccc(Cl)cc1 InChI=1S/C30H31ClN2O4/c1-36-23-10-7-20-16-24-30(32-25(35)11-6-18-4-8-21(31)9-5-18)13-12-22(34)28-29(30,26(20)27(23)37-28)14-15-33(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,32,35)/b11-6-/t24?,28-,29?,30?/m0/s1 LZSMGMMAKBCSRL-IWRUZLQFSA-N 85395 MC-CAM Mu-type opioid receptor Caleucoela sp. 2 MB402 1.4 PDSP Ki 10.7270/Q2MC8XJC 10087018 McLaughlin, JP; Hill, KP; Jiang, Q; Sebastian, A; Archer, S; Bidlack, JM University of Rochester http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85395 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85395&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 57340107 136351495 ZINC87722807 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 178512 COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)CCC35NC(=O)\C=C/c1ccc(cc1)[N+]([O-])=O InChI=1S/C30H31N3O6/c1-38-23-10-7-20-16-24-30(31-25(35)11-6-18-4-8-21(9-5-18)33(36)37)13-12-22(34)28-29(30,26(20)27(23)39-28)14-15-32(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,31,35)/b11-6-/t24?,28-,29?,30?/m0/s1 HIVXXDSZTCJSFW-IWRUZLQFSA-N 85394 N-CPM-CACO Mu-type opioid receptor Caleucoela sp. 2 MB402 1.1 PDSP Ki 10.7270/Q2MC8XJC 10087018 McLaughlin, JP; Hill, KP; Jiang, Q; Sebastian, A; Archer, S; Bidlack, JM University of Rochester http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85394 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85394&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 57340106 136351494 ZINC38154961 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 177870 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30+/m0/s1 ZEXLJFNSKAHNFH-ZVVXMFRTSA-N 50095150 (R)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid [(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-amide::CHEMBL329996::Endomorphin 1 Mu-type opioid receptor Caleucoela sp. 2 MB402 0.67 PDSP Ki 10.7270/Q2QC022N 9694962 Goldberg, IE; Rossi, GC; Letchworth, SR; Mathis, JP; Ryan-Moro, J; Leventhal, L; Su, W; Emmel, D; Bolan, EA; Pasternak, GW Memorial Sloan-Kettering Cancer Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095150&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 24841542 103992909 CHEMBL329996 ZINC14951646 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 177876 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26+,27+,28?/m0/s1 XIJHWXXXIMEHKW-JRVZRWKPSA-N 50106276 1-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid [1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethyl]-amide (Endomorphin-2)::CHEMBL126243::Endomorphin 2 Mu-type opioid receptor Caleucoela sp. 2 MB402 0.43 PDSP Ki 10.7270/Q2QC022N 9694962 Goldberg, IE; Rossi, GC; Letchworth, SR; Mathis, JP; Ryan-Moro, J; Leventhal, L; Su, W; Emmel, D; Bolan, EA; Pasternak, GW Memorial Sloan-Kettering Cancer Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106276&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44350751 104001849 CHEMBL126243 ZINC27301133 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 177904 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O InChI=1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30+/m0/s1 ZEXLJFNSKAHNFH-ZVVXMFRTSA-N 50095150 (R)-1-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid [(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-amide::CHEMBL329996::Endomorphin 1 Mu-type opioid receptor Caleucoela sp. 2 MB402 3.2 PDSP Ki 10.7270/Q2QC022N 9694962 Goldberg, IE; Rossi, GC; Letchworth, SR; Mathis, JP; Ryan-Moro, J; Leventhal, L; Su, W; Emmel, D; Bolan, EA; Pasternak, GW Memorial Sloan-Kettering Cancer Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50095150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50095150&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 24841542 103992909 CHEMBL329996 ZINC14951646 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 177905 N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O InChI=1S/C32H37N5O5/c33-25(18-23-13-15-24(38)16-14-23)32(42)37-17-7-12-28(37)31(41)36-27(20-22-10-5-2-6-11-22)30(40)35-26(29(34)39)19-21-8-3-1-4-9-21/h1-6,8-11,13-16,25-28,38H,7,12,17-20,33H2,(H2,34,39)(H,35,40)(H,36,41)/t25-,26+,27+,28?/m0/s1 XIJHWXXXIMEHKW-JRVZRWKPSA-N 50106276 1-[2-Amino-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid [1-(1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethyl]-amide (Endomorphin-2)::CHEMBL126243::Endomorphin 2 Mu-type opioid receptor Caleucoela sp. 2 MB402 4 PDSP Ki 10.7270/Q2QC022N 9694962 Goldberg, IE; Rossi, GC; Letchworth, SR; Mathis, JP; Ryan-Moro, J; Leventhal, L; Su, W; Emmel, D; Bolan, EA; Pasternak, GW Memorial Sloan-Kettering Cancer Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50106276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50106276&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44350751 104001849 CHEMBL126243 ZINC27301133 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 188083 CN1CCC23C4Oc5c2c(CC1C3CCC4OC(C)=O)ccc5O InChI=1S/C19H23NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3,5,12-13,15,18,22H,4,6-9H2,1-2H3 QSMMSROGHQAUSB-UHFFFAOYSA-N 86520 6-AcDHM Mu-type opioid receptor Caleucoela sp. 2 MB402 1.83 PDSP Ki 10.1016/j.ejphar.2004.03.050 10.7270/Q2416VMW 15178355 Gilbert, AK; Hosztafi, S; Mahurter, L; Pasternak, GW Memorial Sloan-Kettering Cancer Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=86520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=86520&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 57340633 136352569 ZINC87723438 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 188084 CN1CCC23C4Oc5c2c(CC1C3CCC4OC(C)=O)ccc5OC(C)=O InChI=1S/C21H25NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4,6,14-15,17,20H,5,7-10H2,1-3H3 NCXVKLDKUADJPV-UHFFFAOYSA-N 86519 CAS_11221::Dihydroheroin::NSC_11221 Mu-type opioid receptor Caleucoela sp. 2 MB402 11.2 PDSP Ki 10.1016/j.ejphar.2004.03.050 10.7270/Q2416VMW 15178355 Gilbert, AK; Hosztafi, S; Mahurter, L; Pasternak, GW Memorial Sloan-Kettering Cancer Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=86519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=86519&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 9929347 136352568 ZINC34034154 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 188085 CN1CCC23C4Oc5c2c(CC1C3CCC4O)ccc5O InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3 IJVCSMSMFSCRME-UHFFFAOYSA-N 86518 CAS_509-60-4::DIHYDROMORPHINE::NSC_273032 Mu-type opioid receptor Caleucoela sp. 2 MB402 0.23 PDSP Ki 10.1016/j.ejphar.2004.03.050 10.7270/Q2416VMW 15178355 Gilbert, AK; Hosztafi, S; Mahurter, L; Pasternak, GW Memorial Sloan-Kettering Cancer Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=86518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=86518&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 273032 136352567 1616 ZINC05015077 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 188086 CN1CCC23C4Oc5c2c(CC1C3C=CC4O)ccc5O InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3 BQJCRHHNABKAKU-UHFFFAOYSA-N 86258 CAS_23552-18-3::Morphine::NSC_5980 Mu-type opioid receptor Caleucoela sp. 2 MB402 0.5 PDSP Ki 10.1016/j.ejphar.2004.03.050 10.7270/Q2416VMW 15178355 Gilbert, AK; Hosztafi, S; Mahurter, L; Pasternak, GW Memorial Sloan-Kettering Cancer Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=86258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=86258&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search MOI 8EF6,1Q0Y,7U62 4253 136352358 ZINC03831152 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 188087 CN1CCC23C4Oc5c2c(CC1C3CCC4OC(C)=O)ccc5O InChI=1S/C19H23NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3,5,12-13,15,18,22H,4,6-9H2,1-2H3 QSMMSROGHQAUSB-UHFFFAOYSA-N 86520 6-AcDHM Mu-type opioid receptor Caleucoela sp. 2 MB402 12.3 PDSP Ki 10.1016/j.ejphar.2004.03.050 10.7270/Q2416VMW 15178355 Gilbert, AK; Hosztafi, S; Mahurter, L; Pasternak, GW Memorial Sloan-Kettering Cancer Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=86520 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=86520&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 57340633 136352569 ZINC87723438 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 188088 CN1CCC23C4Oc5c2c(CC1C3CCC4OC(C)=O)ccc5OC(C)=O InChI=1S/C21H25NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4,6,14-15,17,20H,5,7-10H2,1-3H3 NCXVKLDKUADJPV-UHFFFAOYSA-N 86519 CAS_11221::Dihydroheroin::NSC_11221 Mu-type opioid receptor Caleucoela sp. 2 MB402 191 PDSP Ki 10.1016/j.ejphar.2004.03.050 10.7270/Q2416VMW 15178355 Gilbert, AK; Hosztafi, S; Mahurter, L; Pasternak, GW Memorial Sloan-Kettering Cancer Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=86519 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=86519&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 9929347 136352568 ZINC34034154 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 188089 CN1CCC23C4Oc5c2c(CC1C3CCC4O)ccc5O InChI=1S/C17H21NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3 IJVCSMSMFSCRME-UHFFFAOYSA-N 86518 CAS_509-60-4::DIHYDROMORPHINE::NSC_273032 Mu-type opioid receptor Caleucoela sp. 2 MB402 1.3 PDSP Ki 10.1016/j.ejphar.2004.03.050 10.7270/Q2416VMW 15178355 Gilbert, AK; Hosztafi, S; Mahurter, L; Pasternak, GW Memorial Sloan-Kettering Cancer Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=86518 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=86518&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 273032 136352567 1616 ZINC05015077 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 188090 CN1CCC23C4Oc5c2c(CC1C3C=CC4O)ccc5O InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3 BQJCRHHNABKAKU-UHFFFAOYSA-N 86258 CAS_23552-18-3::Morphine::NSC_5980 Mu-type opioid receptor Caleucoela sp. 2 MB402 2.5 PDSP Ki 10.1016/j.ejphar.2004.03.050 10.7270/Q2416VMW 15178355 Gilbert, AK; Hosztafi, S; Mahurter, L; Pasternak, GW Memorial Sloan-Kettering Cancer Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=86258 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=86258&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search MOI 8EF6,1Q0Y,7U62 4253 136352358 ZINC03831152 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 189633 COc1ccccc1N1CCN(CCCCn2ncc(=O)n(C)c2=O)CC1 InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3 MEKSQRMXWZHFIP-UHFFFAOYSA-N 86757 CAS_0::NSC_11603174::[11C]MMP Mu-type opioid receptor Caleucoela sp. 2 MB402 >10000 PDSP Ki 10.1007/s00259-006-0324-y 10.7270/Q2D7990W 17221184 Kumar, JS; Prabhakaran, J; Majo, VJ; Milak, MS; Hsiung, SC; Tamir, H; Simpson, NR; Van Heertum, RL; Mann, JJ; Parsey, RV Columbia University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=86757 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=86757&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 21830793 136352806 ZINC35907025 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50000615 CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1 MCMMCRYPQBNCPH-DVKRWUGUSA-N 50001683 13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid::7-Benzyl-10-{[3-(4-hydroxy-phenyl)-pyrrolidine-2-carbonyl]-amino}-3,3-dimethyl-6,9-dioxo-1,2-dithia-5,8-diaza-cycloundecane-4-carboxylic acid::CHEMBL294616::DPDPE Mu-type opioid receptor Caleucoela sp. 2 MB402 460 ChEMBL 10.1021/jm00087a004 10.7270/Q22806JN 1315868 Froimowitz, M; Pick, CG; Pasternak, GW Harvard Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001683&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44299404 103916113 CHEMBL294616 ZINC27520031 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50000617 CN1CCC2(CCCC1[C@@H]2O)c1cccc(O)c1 InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m0/s1 CTLFZKBHJPSVMV-SLTAFYQDSA-N 50000572 5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]nonan-9-ol::CHEMBL36707 Mu-type opioid receptor Caleucoela sp. 2 MB402 >275 ChEMBL 10.1021/jm00087a004 10.7270/Q22806JN 1315868 Froimowitz, M; Pick, CG; Pasternak, GW Harvard Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000572&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44285070 103915120 CHEMBL36707 ZINC13454258 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50000621 C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1 JBSRPCWYMOJXAM-UWTIGNOOSA-N 50000571 3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol::5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]nonan-9-ol::CHEMBL287726 Mu-type opioid receptor Caleucoela sp. 2 MB402 >600 ChEMBL 10.1021/jm00087a004 10.7270/Q22806JN 1315868 Froimowitz, M; Pick, CG; Pasternak, GW Harvard Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000571&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44285029 103915119 CHEMBL287726 ZINC13454262 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50000585 CN1CCC2(CCCC1[C@H]2O)c1cccc(O)c1 InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m1/s1 CTLFZKBHJPSVMV-SHARSMKWSA-N 50000569 5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]nonan-9-ol::CHEMBL290855 Mu-type opioid receptor Caleucoela sp. 2 MB402 8.8 ChEMBL 10.1021/jm00087a004 10.7270/Q22806JN 1315868 Froimowitz, M; Pick, CG; Pasternak, GW Harvard Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000569&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44284742 103915117 CHEMBL290855 ZINC13454255 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50000594 CN1CCC2(CCCC1C2)c1cccc(O)c1 InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3 ZQJGRSYDDMBMPJ-UHFFFAOYSA-N 50000570 3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol::CHEMBL285250 Mu-type opioid receptor Caleucoela sp. 2 MB402 19.0 ChEMBL 10.1021/jm00087a004 10.7270/Q22806JN 1315868 Froimowitz, M; Pick, CG; Pasternak, GW Harvard Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000570&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 12368881 103915118 CHEMBL285250 ZINC05966698 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50000598 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 BQJCRHHNABKAKU-KBQPJGBKSA-N 50000092 (-)-(etorphine)::(-)-morphine::(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::(Morphine)::(Morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::(morphine) 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::1N-[2-(5-dimethylaminomethyl-2-furylmethylsulfanyl)ethyl]-1N-methyl-2-nitro-(Z)-1-ethene-1,1-diamine::2-[2-{2-[2-(2-Amino-3-phenyl-propionylamino)-acetylamino]-acetylamino}-3-(4-hydroxy-phenyl)-propionylamino]-4-methylsulfanyl-butyric acid::2-{4-[2,4-diamino-6-pteridinylmethyl(methyl)amino]phenylcarboxamido}pentanedioic acid(morphine)::3-(4-Hydroxy-phenyl)-1-propyl-piperidine-3-carboxylic acid ethyl ester::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol ; HydroChloride::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol ;sulphate salt(morphine)::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol((Morphine))::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(Morphine sulfate)::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(Morphine)(HCl)::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(morphine)::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol,sulfate(Morphinesulfate)::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diolMorphine::4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol (morphine)::4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(Morphine)::6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol(Morphine)::6-tert-Butyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocine::7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol(morphine)::AMBENYL::AVINZA::Analog of 14-(Arylhydroxyamino)codeinone::BDB50000092::BROMANYL::CHEMBL70::CODRIX::DEPODUR::DIMETANE-DC::INFUMORPH::KADIAN::MORPHINE::MYBANIL::Morphine;4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::TRIACIN-C::US9133125, Table D, morphine Mu-type opioid receptor Caleucoela sp. 2 MB402 0.500000 ChEMBL 10.1021/jm00087a004 10.7270/Q22806JN 1315868 Froimowitz, M; Pick, CG; Pasternak, GW Harvard Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000092&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search MOI 8EF6,1Q0Y,7U62 5288826 103914789 17303 CHEMBL70 DB00295 1627 C01516 ZINC03812983 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50003859 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CSSCC(=O)N[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O InChI=1S/C44H50N4O8S2/c49-27-7-5-25-17-31-43(11-9-29(51)39-41(43,35(25)37(27)55-39)13-15-47(31)19-23-1-2-23)45-33(53)21-57-58-22-34(54)46-44-12-10-30(52)40-42(44)14-16-48(20-24-3-4-24)32(44)18-26-6-8-28(50)38(56-40)36(26)42/h5-8,23-24,31-32,39-40,49-50H,1-4,9-22H2,(H,45,53)(H,46,54)/t31-,32-,39+,40+,41+,42+,43-,44-/m1/s1 CYNYZGWJRWHWPG-CTHHFRLWSA-N 50030145 CHEMBL290701::bis-(1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-17-yl]-2-sulfanylacetamide) Mu-type opioid receptor Caleucoela sp. 2 MB402 3.9 ChEMBL 10.1016/0960-894X(95)00287-4 10.7270/Q2125SNJ Bidlack, JM; Kaplan, RA; Sebastian, A; Seyed-Mozaffari, A; Hutchinson, I; Archer, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50030145 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50030145&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44287225 103939128 CHEMBL290701 C15496 ZINC95608892 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50003860 C[C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)CSSCC(=O)N[C@]12CCC(=O)[C@]4(C)Oc5c6c(C[C@H]1N(CC1CC1)CC[C@@]246)ccc5O)ccc3O InChI=1S/C46H54N4O8S2/c1-41-33(53)11-13-45(31-19-27-7-9-29(51)39(57-41)37(27)43(41,45)15-17-49(31)21-25-3-4-25)47-35(55)23-59-60-24-36(56)48-46-14-12-34(54)42(2)44(46)16-18-50(22-26-5-6-26)32(46)20-28-8-10-30(52)40(58-42)38(28)44/h7-10,25-26,31-32,51-52H,3-6,11-24H2,1-2H3,(H,47,55)(H,48,56)/t31-,32-,41+,42+,43+,44+,45-,46-/m1/s1 DHHKGYXJJAWJDM-FIYJTVGMSA-N 50421363 CHEMBL2304424 Mu-type opioid receptor Caleucoela sp. 2 MB402 1.4 ChEMBL 10.1016/0960-894X(95)00287-4 10.7270/Q2125SNJ Bidlack, JM; Kaplan, RA; Sebastian, A; Seyed-Mozaffari, A; Hutchinson, I; Archer, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421363&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 71720326 164150238 CHEMBL2304424 C15496 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50032767 CC(=C)C(=O)O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 InChI=1S/C24H29NO5/c1-13(2)22(27)29-17-7-8-24(28)18-11-15-5-6-16(26)20-19(15)23(24,21(17)30-20)9-10-25(18)12-14-3-4-14/h5-6,14,17-18,21,26,28H,1,3-4,7-12H2,2H3/t17-,18+,21-,23-,24+/m0/s1 XYCPEHAPRMZWKX-WSEOTULYSA-N 50452754 CHEMBL3084322 Mu-type opioid receptor Caleucoela sp. 2 MB402 6.8 ChEMBL 10.1021/jm00164a043 10.7270/Q2SN09J6 2153826 Olsen, LD; Klein, P; Nelson, WL; Yao, YH; Simon, EJ University of Washington http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50452754 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50452754&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 76335129 225145738 CHEMBL3084322 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50032768 COC(=O)C(=C)CO[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 InChI=1S/C25H31NO6/c1-14(23(28)30-2)13-31-18-7-8-25(29)19-11-16-5-6-17(27)21-20(16)24(25,22(18)32-21)9-10-26(19)12-15-3-4-15/h5-6,15,18-19,22,27,29H,1,3-4,7-13H2,2H3/t18-,19-,22+,24+,25-/m1/s1 ZLKXBHFJETUNMU-WXIYZNRCSA-N 50000790 CHEMBL76023::methyl 2-[4-cyclopropylmethyl-10,17-dihydroxy-(13R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-14-yloxymethyl]acrylate::methyl 2-[4-cyclopropylmethyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-yloxymethyl]acrylate Mu-type opioid receptor Caleucoela sp. 2 MB402 1.5 ChEMBL 10.1021/jm00164a043 10.7270/Q2SN09J6 2153826 Olsen, LD; Klein, P; Nelson, WL; Yao, YH; Simon, EJ University of Washington http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000790 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000790&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 10026312 103915332 CHEMBL76023 ZINC13724983 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50033048 CO[C@]12C=C[C@@]3(CC1[C@@H](C)N=C=S)C1Cc4ccc(O)c5O[C@@H]2C3(CCN1C)c45 InChI=1S/C23H26N2O3S/c1-13(24-12-29)15-11-21-6-7-23(15,27-3)20-22(21)8-9-25(2)17(21)10-14-4-5-16(26)19(28-20)18(14)22/h4-7,13,15,17,20,26H,8-11H2,1-3H3/t13-,15?,17?,20-,21-,22?,23-/m1/s1 WTVMVUJOBOGEOT-UCYOIAKYSA-N 50406413 CHEMBL2021335 Mu-type opioid receptor Caleucoela sp. 2 MB402 63 ChEMBL 10.1021/jm00170a038 10.7270/Q2K074WV 2165166 Klein, P; Nelson, WL; Yao, YH; Simon, EJ University of Washington http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50406413 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50406413&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 70683393 163355437 CHEMBL2021335 ZINC84615074 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50033049 COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)[C@@]1(OC)C=C[C@@]35CC1[C@@H](C)N=C=S InChI=1S/C27H32N2O3S/c1-16(28-15-33)19-13-25-8-9-27(19,31-3)24-26(25)10-11-29(14-17-4-5-17)21(25)12-18-6-7-20(30-2)23(32-24)22(18)26/h6-9,16-17,19,21,24H,4-5,10-14H2,1-3H3/t16-,19?,21?,24-,25-,26?,27-/m1/s1 CBPASLHMRDUOQC-ZVIHCYBGSA-N 50406412 CHEMBL2021333 Mu-type opioid receptor Caleucoela sp. 2 MB402 434 ChEMBL 10.1021/jm00170a038 10.7270/Q2K074WV 2165166 Klein, P; Nelson, WL; Yao, YH; Simon, EJ University of Washington http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50406412 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50406412&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 70691834 163355436 CHEMBL2021333 ZINC84614592 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50033050 CO[C@]12C=C[C@@]3(CC1[C@@H](C)N=C=S)C1Cc4ccc(O)c5O[C@@H]2C3(CCN1CC1CC1)c45 InChI=1S/C26H30N2O3S/c1-15(27-14-32)18-12-24-7-8-26(18,30-2)23-25(24)9-10-28(13-16-3-4-16)20(24)11-17-5-6-19(29)22(31-23)21(17)25/h5-8,15-16,18,20,23,29H,3-4,9-13H2,1-2H3/t15-,18?,20?,23-,24-,25?,26-/m1/s1 OUKDLWAAMCMZEI-ACQAJGDTSA-N 50406411 CHEMBL2021332 Mu-type opioid receptor Caleucoela sp. 2 MB402 0.760000 ChEMBL 10.1021/jm00170a038 10.7270/Q2K074WV 2165166 Klein, P; Nelson, WL; Yao, YH; Simon, EJ University of Washington http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50406411 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50406411&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 70696006 163355435 CHEMBL2021332 ZINC84614591 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50042251 CNC1CCC2(C)CC1(CO)Cc1ccc(O)cc21 InChI=1S/C16H23NO2/c1-15-6-5-14(17-2)16(9-15,10-18)8-11-3-4-12(19)7-13(11)15/h3-4,7,14,17-19H,5-6,8-10H2,1-2H3 HBHHFUIZPMLGCC-UHFFFAOYSA-N 50050480 9-Hydroxymethyl-1-methyl-10-methylamino-tricyclo[7.3.1.0*2,7*]trideca-2,4,6-trien-4-ol::CHEMBL57879 Mu-type opioid receptor Caleucoela sp. 2 MB402 380 ChEMBL 10.1021/jm950817g 10.7270/Q2CC0ZR8 8642554 Schultz, AG; Wang, A; Alva, C; Sebastian, A; Glick, SD; Deecher, DC; Bidlack, JM Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50050480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50050480&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44301653 103947650 CHEMBL57879 ZINC29566317 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50042202 CN(C)C1CCC2(C)CC1(CO)Cc1ccc(O)cc21 InChI=1S/C17H25NO2/c1-16-7-6-15(18(2)3)17(10-16,11-19)9-12-4-5-13(20)8-14(12)16/h4-5,8,15,19-20H,6-7,9-11H2,1-3H3 DYPNTTBEDJXBAY-UHFFFAOYSA-N 50050477 10-Dimethylamino-9-hydroxymethyl-1-methyl-tricyclo[7.3.1.0*2,7*]trideca-2,4,6-trien-4-ol::CHEMBL299460 Mu-type opioid receptor Caleucoela sp. 2 MB402 830 ChEMBL 10.1021/jm950817g 10.7270/Q2CC0ZR8 8642554 Schultz, AG; Wang, A; Alva, C; Sebastian, A; Glick, SD; Deecher, DC; Bidlack, JM Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50050477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50050477&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44301963 103947647 CHEMBL299460 ZINC29565438 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50042203 CN(C)C1CCC2(C)CC1(C)Cc1ccc(O)cc21 InChI=1S/C17H25NO/c1-16-8-7-15(18(3)4)17(2,11-16)10-12-5-6-13(19)9-14(12)16/h5-6,9,15,19H,7-8,10-11H2,1-4H3 PBLYKDHZSNMTDF-UHFFFAOYSA-N 50050478 10-Dimethylamino-1,9-dimethyl-tricyclo[7.3.1.0*2,7*]trideca-2,4,6-trien-4-ol::CHEMBL301421 Mu-type opioid receptor Caleucoela sp. 2 MB402 297 ChEMBL 10.1021/jm950817g 10.7270/Q2CC0ZR8 8642554 Schultz, AG; Wang, A; Alva, C; Sebastian, A; Glick, SD; Deecher, DC; Bidlack, JM Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50050478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50050478&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44301534 103947648 CHEMBL301421 ZINC29571023 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50042221 COCC12Cc3ccc(O)cc3C(C)(CCC1N(C)C)C2 InChI=1S/C18H27NO2/c1-17-8-7-16(19(2)3)18(11-17,12-21-4)10-13-5-6-14(20)9-15(13)17/h5-6,9,16,20H,7-8,10-12H2,1-4H3 LMPYGANIBIHENG-UHFFFAOYSA-N 50050487 10-Dimethylamino-9-methoxymethyl-1-methyl-tricyclo[7.3.1.0*2,7*]trideca-2,4,6-trien-4-ol::CHEMBL431947 Mu-type opioid receptor Caleucoela sp. 2 MB402 25.2 ChEMBL 10.1021/jm950817g 10.7270/Q2CC0ZR8 8642554 Schultz, AG; Wang, A; Alva, C; Sebastian, A; Glick, SD; Deecher, DC; Bidlack, JM Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50050487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50050487&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44301641 103947657 CHEMBL431947 ZINC34529595 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50042222 CC12CCC(N)C(CO)(Cc3ccc(O)cc13)C2 InChI=1S/C15H21NO2/c1-14-5-4-13(16)15(8-14,9-17)7-10-2-3-11(18)6-12(10)14/h2-3,6,13,17-18H,4-5,7-9,16H2,1H3 TYULFMDMDFGHME-UHFFFAOYSA-N 50050484 10-Amino-9-hydroxymethyl-1-methyl-tricyclo[7.3.1.0*2,7*]trideca-2,4,6-trien-4-ol::CHEMBL409026 Mu-type opioid receptor Caleucoela sp. 2 MB402 41 ChEMBL 10.1021/jm950817g 10.7270/Q2CC0ZR8 8642554 Schultz, AG; Wang, A; Alva, C; Sebastian, A; Glick, SD; Deecher, DC; Bidlack, JM Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50050484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50050484&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44301664 103947654 CHEMBL409026 ZINC34507723 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50042223 COCC12Cc3ccc(O)cc3C(C)(CCC1N)C2 InChI=1S/C16H23NO2/c1-15-6-5-14(17)16(9-15,10-19-2)8-11-3-4-12(18)7-13(11)15/h3-4,7,14,18H,5-6,8-10,17H2,1-2H3 OIWCGKHLZPNFSY-UHFFFAOYSA-N 50050482 10-Amino-9-methoxymethyl-1-methyl-tricyclo[7.3.1.0*2,7*]trideca-2,4,6-trien-4-ol::CHEMBL294226 Mu-type opioid receptor Caleucoela sp. 2 MB402 2.3 ChEMBL 10.1021/jm950817g 10.7270/Q2CC0ZR8 8642554 Schultz, AG; Wang, A; Alva, C; Sebastian, A; Glick, SD; Deecher, DC; Bidlack, JM Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50050482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50050482&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44301663 103947652 CHEMBL294226 ZINC36221117 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50051194 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O InChI=1S/C29H29N3O6/c33-21-9-6-19-15-23-29(30-24(35)10-5-17-3-7-20(8-4-17)32(36)37)12-11-22(34)27-28(29,25(19)26(21)38-27)13-14-31(23)16-18-1-2-18/h3-10,18,23,27,33H,1-2,11-16H2,(H,30,35)/b10-5+/t23-,27+,28+,29-/m1/s1 USUATCCCIDHRPH-DNIKMYEQSA-N 50033641 1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide::CHEMBL611136 Mu-type opioid receptor Caleucoela sp. 2 MB402 12.1 ChEMBL 10.1021/jm00073a015 10.7270/Q2K64H31 7693944 Sebastian, A; Bidlack, JM; Jiang, Q; Deecher, D; Teitler, M; Glick, SD; Archer, S Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033641 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033641&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 11849365 103941901 CHEMBL611136 ZINC26940446 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50051197 CN1CCC23c4c5O[C@@]2(C)C(=O)CC[C@@]3(NC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C1Cc4ccc5O InChI=1S/C27H27N3O6/c1-25-21(32)11-12-27(28-22(33)10-5-16-3-7-18(8-4-16)30(34)35)20-15-17-6-9-19(31)24(36-25)23(17)26(25,27)13-14-29(20)2/h3-10,20,31H,11-15H2,1-2H3,(H,28,33)/b10-5+/t20?,25-,26?,27+/m0/s1 CEBCASROENGJPG-HVCZEULHSA-N 50033645 1N-[10-hydroxy-4,13-dimethyl-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide::CHEMBL107164 Mu-type opioid receptor Caleucoela sp. 2 MB402 0.330000 ChEMBL 10.1021/jm00073a015 10.7270/Q2K64H31 7693944 Sebastian, A; Bidlack, JM; Jiang, Q; Deecher, D; Teitler, M; Glick, SD; Archer, S Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033645 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033645&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44337271 103941905 CHEMBL107164 ZINC26841641 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50051200 C[C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@]5(CCC2=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc3O InChI=1S/C30H31N3O6/c1-28-24(35)12-13-30(31-25(36)11-6-18-4-8-21(9-5-18)33(37)38)23-16-20-7-10-22(34)27(39-28)26(20)29(28,30)14-15-32(23)17-19-2-3-19/h4-11,19,23,34H,2-3,12-17H2,1H3,(H,31,36)/b11-6+/t23?,28-,29?,30+/m0/s1 RIXFPTSTMBDFAF-JHMKZUJTSA-N 50033647 1N-[4-cyclopropylmethyl-10-hydroxy-13-methyl-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide::CHEMBL108406 Mu-type opioid receptor Caleucoela sp. 2 MB402 0.520000 ChEMBL 10.1021/jm00073a015 10.7270/Q2K64H31 7693944 Sebastian, A; Bidlack, JM; Jiang, Q; Deecher, D; Teitler, M; Glick, SD; Archer, S Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033647 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033647&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44337275 103941907 CHEMBL108406 ZINC26934930 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50051206 COc1ccc2CC3N(CC4CC4)CCC45c2c1O[C@@]4(C)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O InChI=1S/C31H33N3O6/c1-29-25(35)13-14-31(32-26(36)12-7-19-5-9-22(10-6-19)34(37)38)24-17-21-8-11-23(39-2)28(40-29)27(21)30(29,31)15-16-33(24)18-20-3-4-20/h5-12,20,24H,3-4,13-18H2,1-2H3,(H,32,36)/b12-7+/t24?,29-,30?,31+/m0/s1 GRBDXJJTUGORBA-BLGOHELNSA-N 50033644 1N-[4-cyclopropylmethyl-10-methoxy-13-methyl-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide::CHEMBL327111 Mu-type opioid receptor Caleucoela sp. 2 MB402 32 ChEMBL 10.1021/jm00073a015 10.7270/Q2K64H31 7693944 Sebastian, A; Bidlack, JM; Jiang, Q; Deecher, D; Teitler, M; Glick, SD; Archer, S Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033644 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033644&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44337160 103941904 CHEMBL327111 ZINC36221832 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50051209 CN1CCC23c4c5O[C@@]2(C)C(=O)C=C[C@@]3(NC(=O)\C=C\c2ccc(cc2)[N+]([O-])=O)C1Cc4ccc5O InChI=1S/C27H25N3O6/c1-25-21(32)11-12-27(28-22(33)10-5-16-3-7-18(8-4-16)30(34)35)20-15-17-6-9-19(31)24(36-25)23(17)26(25,27)13-14-29(20)2/h3-12,20,31H,13-15H2,1-2H3,(H,28,33)/b10-5+/t20?,25-,26?,27+/m0/s1 OQLYXAVKLPHPHZ-HVCZEULHSA-N 50033648 1N-[10-hydroxy-4,13-dimethyl-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide::CHEMBL323430 Mu-type opioid receptor Caleucoela sp. 2 MB402 0.800000 ChEMBL 10.1021/jm00073a015 10.7270/Q2K64H31 7693944 Sebastian, A; Bidlack, JM; Jiang, Q; Deecher, D; Teitler, M; Glick, SD; Archer, S Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033648 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033648&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44337273 103941908 CHEMBL323430 ZINC26843252 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50051210 COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O InChI=1S/C27H27N3O6/c1-29-14-13-26-23-17-6-9-20(35-2)24(23)36-25(26)19(31)11-12-27(26,21(29)15-17)28-22(32)10-5-16-3-7-18(8-4-16)30(33)34/h3-10,21,25H,11-15H2,1-2H3,(H,28,32)/b10-5+/t21?,25-,26?,27+/m0/s1 VSIGMWSIMODNPX-WXYYCSAXSA-N 50033654 1N-[10-methoxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide::CHEMBL106876 Mu-type opioid receptor Caleucoela sp. 2 MB402 0.440000 ChEMBL 10.1021/jm00073a015 10.7270/Q2K64H31 7693944 Sebastian, A; Bidlack, JM; Jiang, Q; Deecher, D; Teitler, M; Glick, SD; Archer, S Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033654 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033654&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44337269 103941914 CHEMBL106876 ZINC36221226 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50051212 CN1CCC23[C@H]4Oc5c2c(CC1[C@]3(NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O)C=CC4=O)ccc5O InChI=1S/C26H23N3O6/c1-28-13-12-25-22-16-5-8-18(30)23(22)35-24(25)19(31)10-11-26(25,20(28)14-16)27-21(32)9-4-15-2-6-17(7-3-15)29(33)34/h2-11,20,24,30H,12-14H2,1H3,(H,27,32)/t20?,24-,25?,26+/m0/s1 JOJXGDIGJKCTPG-RFTKNZGOSA-N 50033651 1N-[10-hydroxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide::CHEMBL110238 Mu-type opioid receptor Caleucoela sp. 2 MB402 1.5 ChEMBL 10.1021/jm00073a015 10.7270/Q2K64H31 7693944 Sebastian, A; Bidlack, JM; Jiang, Q; Deecher, D; Teitler, M; Glick, SD; Archer, S Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033651 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033651&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44337344 103941911 CHEMBL110238 ZINC36221239 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50051213 COc1ccc2CC3N(CC4CC4)CCC45c2c1O[C@@]4(C)C(=O)C=C[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O InChI=1S/C31H31N3O6/c1-29-25(35)13-14-31(32-26(36)12-7-19-5-9-22(10-6-19)34(37)38)24-17-21-8-11-23(39-2)28(40-29)27(21)30(29,31)15-16-33(24)18-20-3-4-20/h5-14,20,24H,3-4,15-18H2,1-2H3,(H,32,36)/b12-7+/t24?,29-,30?,31+/m0/s1 AKKJUDSRXGKWBT-BLGOHELNSA-N 50033650 1N-[4-cyclopropylmethyl-10-methoxy-13-methyl-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide::CHEMBL413258 Mu-type opioid receptor Caleucoela sp. 2 MB402 37 ChEMBL 10.1021/jm00073a015 10.7270/Q2K64H31 7693944 Sebastian, A; Bidlack, JM; Jiang, Q; Deecher, D; Teitler, M; Glick, SD; Archer, S Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033650 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033650&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44337243 103941910 CHEMBL413258 ZINC36221229 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50051215 C[C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@]5(CCC2=O)NC(=O)CCc1ccc(cc1)[N+]([O-])=O)ccc3O InChI=1S/C30H33N3O6/c1-28-24(35)12-13-30(31-25(36)11-6-18-4-8-21(9-5-18)33(37)38)23-16-20-7-10-22(34)27(39-28)26(20)29(28,30)14-15-32(23)17-19-2-3-19/h4-5,7-10,19,23,34H,2-3,6,11-17H2,1H3,(H,31,36)/t23?,28-,29?,30+/m0/s1 PDLDCRKROORTJW-QSUQFICRSA-N 50033655 1N-[4-cyclopropylmethyl-10-hydroxy-13-methyl-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-17-yl]-3-(4-nitrophenyl)propanamide::CHEMBL105827 Mu-type opioid receptor Caleucoela sp. 2 MB402 24 ChEMBL 10.1021/jm00073a015 10.7270/Q2K64H31 7693944 Sebastian, A; Bidlack, JM; Jiang, Q; Deecher, D; Teitler, M; Glick, SD; Archer, S Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033655 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033655&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44337274 103941915 CHEMBL105827 ZINC13833399 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50051216 COc1ccc2CC3N(C)CCC45c2c1O[C@@]4(C)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O InChI=1S/C28H29N3O6/c1-26-22(32)12-13-28(29-23(33)11-6-17-4-8-19(9-5-17)31(34)35)21-16-18-7-10-20(36-3)25(37-26)24(18)27(26,28)14-15-30(21)2/h4-11,21H,12-16H2,1-3H3,(H,29,33)/b11-6+/t21?,26-,27?,28+/m0/s1 NCKYLAKJHDNXGI-WJLVKOQPSA-N 50033643 1N-[10-methoxy-4,13-dimethyl-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide::CHEMBL320060 Mu-type opioid receptor Caleucoela sp. 2 MB402 104 ChEMBL 10.1021/jm00073a015 10.7270/Q2K64H31 7693944 Sebastian, A; Bidlack, JM; Jiang, Q; Deecher, D; Teitler, M; Glick, SD; Archer, S Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033643 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033643&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44337264 103941903 CHEMBL320060 ZINC36311371 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50051221 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(CCC4=O)NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)ccc5O InChI=1S/C26H25N3O6/c1-28-13-12-25-22-16-5-8-18(30)23(22)35-24(25)19(31)10-11-26(25,20(28)14-16)27-21(32)9-4-15-2-6-17(7-3-15)29(33)34/h2-9,20,24,30H,10-14H2,1H3,(H,27,32)/b9-4+/t20-,24+,25+,26-/m1/s1 PMHKQZZWOMGKBX-IAYRCESESA-N 50456193 CHEMBL607068 Mu-type opioid receptor Caleucoela sp. 2 MB402 0.280000 ChEMBL 10.1021/jm00073a015 10.7270/Q2K64H31 7693944 Sebastian, A; Bidlack, JM; Jiang, Q; Deecher, D; Teitler, M; Glick, SD; Archer, S Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50456193 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50456193&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 46878245 225147109 CHEMBL607068 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50051225 C[C@@]12Oc3c4c(CC5N(CC6CC6)CCC14[C@@]5(NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O)C=CC2=O)ccc3O InChI=1S/C30H29N3O6/c1-28-24(35)12-13-30(31-25(36)11-6-18-4-8-21(9-5-18)33(37)38)23-16-20-7-10-22(34)27(39-28)26(20)29(28,30)14-15-32(23)17-19-2-3-19/h4-13,19,23,34H,2-3,14-17H2,1H3,(H,31,36)/b11-6+/t23?,28-,29?,30+/m0/s1 SOMLNFVGFKTNRL-JHMKZUJTSA-N 50033656 1N-[4-cyclopropylmethyl-10-hydroxy-13-methyl-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide::CHEMBL106189 Mu-type opioid receptor Caleucoela sp. 2 MB402 1.9 ChEMBL 10.1021/jm00073a015 10.7270/Q2K64H31 7693944 Sebastian, A; Bidlack, JM; Jiang, Q; Deecher, D; Teitler, M; Glick, SD; Archer, S Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033656 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033656&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44337164 103941916 CHEMBL106189 ZINC26845669 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50051229 COc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C=C[C@@]35NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O InChI=1S/C30H29N3O6/c1-38-23-10-7-20-16-24-30(31-25(35)11-6-18-4-8-21(9-5-18)33(36)37)13-12-22(34)28-29(30,26(20)27(23)39-28)14-15-32(24)17-19-2-3-19/h4-13,19,24,28H,2-3,14-17H2,1H3,(H,31,35)/t24?,28-,29?,30+/m0/s1 UFCMYJRMNDFUEW-FKKYHJNPSA-N 50033657 1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide::CHEMBL107157 Mu-type opioid receptor Caleucoela sp. 2 MB402 1.5 ChEMBL 10.1021/jm00073a015 10.7270/Q2K64H31 7693944 Sebastian, A; Bidlack, JM; Jiang, Q; Deecher, D; Teitler, M; Glick, SD; Archer, S Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033657 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033657&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44337314 103941917 CHEMBL107157 ZINC36221233 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50051230 Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)C=C[C@@]35NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O InChI=1S/C29H27N3O6/c33-21-9-6-19-15-23-29(30-24(35)10-5-17-3-7-20(8-4-17)32(36)37)12-11-22(34)27-28(29,25(19)26(21)38-27)13-14-31(23)16-18-1-2-18/h3-12,18,23,27,33H,1-2,13-16H2,(H,30,35)/t23?,27-,28?,29+/m0/s1 ZJKCEVULTASPKD-SXNYVGIYSA-N 50033653 1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide::CHEMBL317035 Mu-type opioid receptor Caleucoela sp. 2 MB402 7.8 ChEMBL 10.1021/jm00073a015 10.7270/Q2K64H31 7693944 Sebastian, A; Bidlack, JM; Jiang, Q; Deecher, D; Teitler, M; Glick, SD; Archer, S Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033653 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033653&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44337276 103941913 CHEMBL317035 ZINC26850967 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50051231 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O InChI=1S/C30H31N3O6/c1-38-23-10-7-20-16-24-30(31-25(35)11-6-18-4-8-21(9-5-18)33(36)37)13-12-22(34)28-29(30,26(20)27(23)39-28)14-15-32(24)17-19-2-3-19/h4-11,19,24,28H,2-3,12-17H2,1H3,(H,31,35)/b11-6+/t24-,28+,29+,30-/m1/s1 HIVXXDSZTCJSFW-WDJVXPEUSA-N 50033652 1N-[4-cyclopropylmethyl-10-methoxy-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide::CHEMBL610885 Mu-type opioid receptor Caleucoela sp. 2 MB402 39.1 ChEMBL 10.1021/jm00073a015 10.7270/Q2K64H31 7693944 Sebastian, A; Bidlack, JM; Jiang, Q; Deecher, D; Teitler, M; Glick, SD; Archer, S Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033652 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033652&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 11849246 103941912 CHEMBL610885 ZINC36221251 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50051237 COc1ccc2CC3N(C)CCC45[C@@H](Oc1c24)C(=O)C=C[C@@]35NC(=O)C=Cc1ccc(cc1)[N+]([O-])=O InChI=1S/C27H25N3O6/c1-29-14-13-26-23-17-6-9-20(35-2)24(23)36-25(26)19(31)11-12-27(26,21(29)15-17)28-22(32)10-5-16-3-7-18(8-4-16)30(33)34/h3-12,21,25H,13-15H2,1-2H3,(H,28,32)/t21?,25-,26?,27+/m0/s1 HNILKBVMVGBUJQ-NNMXSAHVSA-N 50033642 1N-[10-methoxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide::CHEMBL108794 Mu-type opioid receptor Caleucoela sp. 2 MB402 1 ChEMBL 10.1021/jm00073a015 10.7270/Q2K64H31 7693944 Sebastian, A; Bidlack, JM; Jiang, Q; Deecher, D; Teitler, M; Glick, SD; Archer, S Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033642 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033642&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44336988 103941902 CHEMBL108794 ZINC36221244 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50051241 COc1ccc2CC3N(C)CCC45c2c1O[C@@]4(C)C(=O)C=C[C@@]35NC(=O)\C=C\c1ccc(cc1)[N+]([O-])=O InChI=1S/C28H27N3O6/c1-26-22(32)12-13-28(29-23(33)11-6-17-4-8-19(9-5-17)31(34)35)21-16-18-7-10-20(36-3)25(37-26)24(18)27(26,28)14-15-30(21)2/h4-13,21H,14-16H2,1-3H3,(H,29,33)/b11-6+/t21?,26-,27?,28+/m0/s1 OIFWWNKFALFTTK-WJLVKOQPSA-N 50033646 1N-[10-methoxy-4,13-dimethyl-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide::CHEMBL110666 Mu-type opioid receptor Caleucoela sp. 2 MB402 36 ChEMBL 10.1021/jm00073a015 10.7270/Q2K64H31 7693944 Sebastian, A; Bidlack, JM; Jiang, Q; Deecher, D; Teitler, M; Glick, SD; Archer, S Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50033646 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50033646&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44337316 103941906 CHEMBL110666 ZINC36221236 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50082093 CN1CNC2CCC3(C)CC2(C1)Cc1ccc(O)cc31 InChI=1S/C17H24N2O/c1-16-6-5-15-17(9-16,10-19(2)11-18-15)8-12-3-4-13(20)7-14(12)16/h3-4,7,15,18,20H,5-6,8-11H2,1-2H3 AFTHUEYDCBUGFM-UHFFFAOYSA-N 50050479 3,9-dimethyl-3,5-diazatetracyclo[7.7.1.01,6.010,15]heptadeca-10,12,14-trien-12-ol::CHEMBL60270 Mu-type opioid receptor Caleucoela sp. 2 MB402 27.7 ChEMBL 10.1021/jm950817g 10.7270/Q2CC0ZR8 8642554 Schultz, AG; Wang, A; Alva, C; Sebastian, A; Glick, SD; Deecher, DC; Bidlack, JM Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50050479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50050479&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44302324 103947649 CHEMBL60270 ZINC36221129 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50082094 CNC1CCC2(C)CC1(CO)Cc1ccc(O)cc21 InChI=1S/C16H23NO2/c1-15-6-5-14(17-2)16(9-15,10-18)8-11-3-4-12(19)7-13(11)15/h3-4,7,14,17-19H,5-6,8-10H2,1-2H3 HBHHFUIZPMLGCC-UHFFFAOYSA-N 50050480 9-Hydroxymethyl-1-methyl-10-methylamino-tricyclo[7.3.1.0*2,7*]trideca-2,4,6-trien-4-ol::CHEMBL57879 Mu-type opioid receptor Caleucoela sp. 2 MB402 380 ChEMBL 10.1021/jm950817g 10.7270/Q2CC0ZR8 8642554 Schultz, AG; Wang, A; Alva, C; Sebastian, A; Glick, SD; Deecher, DC; Bidlack, JM Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50050480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50050480&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44301653 103947650 CHEMBL57879 ZINC29566317 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50082101 COC[C@@]12Cc3ccc(O)cc3[C@@](C)(C1)CCCN2C InChI=1S/C17H25NO2/c1-16-7-4-8-18(2)17(11-16,12-20-3)10-13-5-6-14(19)9-15(13)16/h5-6,9,19H,4,7-8,10-12H2,1-3H3/t16-,17-/m1/s1 QNQAGYMQGHYWCJ-IAGOWNOFSA-N 50050485 (1R,9R)-9-Methoxymethyl-1,10-dimethyl-10-aza-tricyclo[7.4.1.0*2,7*]tetradeca-2(7),3,5-trien-4-ol::CHEMBL61644 Mu-type opioid receptor Caleucoela sp. 2 MB402 102 ChEMBL 10.1021/jm950817g 10.7270/Q2CC0ZR8 8642554 Schultz, AG; Wang, A; Alva, C; Sebastian, A; Glick, SD; Deecher, DC; Bidlack, JM Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50050485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50050485&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 10636137 103947655 CHEMBL61644 ZINC13755916 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50082102 CN1CC23Cc4ccc(O)cc4C(C)(CCC12)C3 InChI=1S/C16H21NO/c1-15-6-5-14-16(9-15,10-17(14)2)8-11-3-4-12(18)7-13(11)15/h3-4,7,14,18H,5-6,8-10H2,1-2H3 HUBOTCKKRXYMHW-UHFFFAOYSA-N 50050483 9,13-dimethyl-13-azatetracyclo[7.5.1.01,12.03,8]pentadeca-3,5,7-trien-6-ol::CHEMBL418460 Mu-type opioid receptor Caleucoela sp. 2 MB402 179 ChEMBL 10.1021/jm950817g 10.7270/Q2CC0ZR8 8642554 Schultz, AG; Wang, A; Alva, C; Sebastian, A; Glick, SD; Deecher, DC; Bidlack, JM Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50050483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50050483&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44301533 103947653 CHEMBL418460 ZINC36221123 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50082123 COCC12Cc3ccc(O)cc3C(C)(CCC1N)C2 InChI=1S/C16H23NO2/c1-15-6-5-14(17)16(9-15,10-19-2)8-11-3-4-12(18)7-13(11)15/h3-4,7,14,18H,5-6,8-10,17H2,1-2H3 OIWCGKHLZPNFSY-UHFFFAOYSA-N 50050482 10-Amino-9-methoxymethyl-1-methyl-tricyclo[7.3.1.0*2,7*]trideca-2,4,6-trien-4-ol::CHEMBL294226 Mu-type opioid receptor Caleucoela sp. 2 MB402 2.29 ChEMBL 10.1021/jm950817g 10.7270/Q2CC0ZR8 8642554 Schultz, AG; Wang, A; Alva, C; Sebastian, A; Glick, SD; Deecher, DC; Bidlack, JM Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50050482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50050482&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44301663 103947652 CHEMBL294226 ZINC36221117 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50082129 COCC12Cc3ccc(O)cc3C(C)(CCC1N(C)C)C2 InChI=1S/C18H27NO2/c1-17-8-7-16(19(2)3)18(11-17,12-21-4)10-13-5-6-14(20)9-15(13)17/h5-6,9,16,20H,7-8,10-12H2,1-4H3 LMPYGANIBIHENG-UHFFFAOYSA-N 50050487 10-Dimethylamino-9-methoxymethyl-1-methyl-tricyclo[7.3.1.0*2,7*]trideca-2,4,6-trien-4-ol::CHEMBL431947 Mu-type opioid receptor Caleucoela sp. 2 MB402 25.2 ChEMBL 10.1021/jm950817g 10.7270/Q2CC0ZR8 8642554 Schultz, AG; Wang, A; Alva, C; Sebastian, A; Glick, SD; Deecher, DC; Bidlack, JM Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50050487 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50050487&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44301641 103947657 CHEMBL431947 ZINC34529595 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50082130 COC[C@@]12Cc3ccc(O)cc3[C@@](C)(C1)CCc1nnnn21 InChI=1S/C16H20N4O2/c1-15-6-5-14-17-18-19-20(14)16(9-15,10-22-2)8-11-3-4-12(21)7-13(11)15/h3-4,7,21H,5-6,8-10H2,1-2H3/t15-,16-/m1/s1 KHRGJUMOPONGBN-HZPDHXFCSA-N 50050486 1-methoxymethyl-9-methyl-(1S,9R)-2,3,4,5-tetraazatetracyclo[7.7.1.02,6.010,15]heptadeca-3,5,10(15),11,13-pentaen-12-ol::CHEMBL59840 Mu-type opioid receptor Caleucoela sp. 2 MB402 3800 ChEMBL 10.1021/jm950817g 10.7270/Q2CC0ZR8 8642554 Schultz, AG; Wang, A; Alva, C; Sebastian, A; Glick, SD; Deecher, DC; Bidlack, JM Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50050486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50050486&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 10851779 103947656 CHEMBL59840 ZINC13755918 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50082131 CN(C)C1CCC2(C)CC1(C)Cc1ccc(O)cc21 InChI=1S/C17H25NO/c1-16-8-7-15(18(3)4)17(2,11-16)10-12-5-6-13(19)9-14(12)16/h5-6,9,15,19H,7-8,10-11H2,1-4H3 PBLYKDHZSNMTDF-UHFFFAOYSA-N 50050478 10-Dimethylamino-1,9-dimethyl-tricyclo[7.3.1.0*2,7*]trideca-2,4,6-trien-4-ol::CHEMBL301421 Mu-type opioid receptor Caleucoela sp. 2 MB402 297.0 ChEMBL 10.1021/jm950817g 10.7270/Q2CC0ZR8 8642554 Schultz, AG; Wang, A; Alva, C; Sebastian, A; Glick, SD; Deecher, DC; Bidlack, JM Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50050478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50050478&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44301534 103947648 CHEMBL301421 ZINC29571023 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50082133 CC12CCC(N)C(CO)(Cc3ccc(O)cc13)C2 InChI=1S/C15H21NO2/c1-14-5-4-13(16)15(8-14,9-17)7-10-2-3-11(18)6-12(10)14/h2-3,6,13,17-18H,4-5,7-9,16H2,1H3 TYULFMDMDFGHME-UHFFFAOYSA-N 50050484 10-Amino-9-hydroxymethyl-1-methyl-tricyclo[7.3.1.0*2,7*]trideca-2,4,6-trien-4-ol::CHEMBL409026 Mu-type opioid receptor Caleucoela sp. 2 MB402 40.6 ChEMBL 10.1021/jm950817g 10.7270/Q2CC0ZR8 8642554 Schultz, AG; Wang, A; Alva, C; Sebastian, A; Glick, SD; Deecher, DC; Bidlack, JM Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50050484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50050484&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44301664 103947654 CHEMBL409026 ZINC34507723 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50082140 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 BQJCRHHNABKAKU-KBQPJGBKSA-N 50000092 (-)-(etorphine)::(-)-morphine::(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::(Morphine)::(Morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::(morphine) 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::1N-[2-(5-dimethylaminomethyl-2-furylmethylsulfanyl)ethyl]-1N-methyl-2-nitro-(Z)-1-ethene-1,1-diamine::2-[2-{2-[2-(2-Amino-3-phenyl-propionylamino)-acetylamino]-acetylamino}-3-(4-hydroxy-phenyl)-propionylamino]-4-methylsulfanyl-butyric acid::2-{4-[2,4-diamino-6-pteridinylmethyl(methyl)amino]phenylcarboxamido}pentanedioic acid(morphine)::3-(4-Hydroxy-phenyl)-1-propyl-piperidine-3-carboxylic acid ethyl ester::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol ; HydroChloride::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol ;sulphate salt(morphine)::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol((Morphine))::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(Morphine sulfate)::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(Morphine)(HCl)::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(morphine)::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol,sulfate(Morphinesulfate)::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diolMorphine::4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol (morphine)::4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(Morphine)::6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol(Morphine)::6-tert-Butyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocine::7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol(morphine)::AMBENYL::AVINZA::Analog of 14-(Arylhydroxyamino)codeinone::BDB50000092::BROMANYL::CHEMBL70::CODRIX::DEPODUR::DIMETANE-DC::INFUMORPH::KADIAN::MORPHINE::MYBANIL::Morphine;4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::TRIACIN-C::US9133125, Table D, morphine Mu-type opioid receptor Caleucoela sp. 2 MB402 0.9 ChEMBL 10.1021/jm950817g 10.7270/Q2CC0ZR8 8642554 Schultz, AG; Wang, A; Alva, C; Sebastian, A; Glick, SD; Deecher, DC; Bidlack, JM Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000092&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search MOI 8EF6,1Q0Y,7U62 5288826 103914789 17303 CHEMBL70 DB00295 1627 C01516 ZINC03812983 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50082143 CN(C)C1CCC2(C)CC1(CO)Cc1ccc(O)cc21 InChI=1S/C17H25NO2/c1-16-7-6-15(18(2)3)17(10-16,11-19)9-12-4-5-13(20)8-14(12)16/h4-5,8,15,19-20H,6-7,9-11H2,1-3H3 DYPNTTBEDJXBAY-UHFFFAOYSA-N 50050477 10-Dimethylamino-9-hydroxymethyl-1-methyl-tricyclo[7.3.1.0*2,7*]trideca-2,4,6-trien-4-ol::CHEMBL299460 Mu-type opioid receptor Caleucoela sp. 2 MB402 830 ChEMBL 10.1021/jm950817g 10.7270/Q2CC0ZR8 8642554 Schultz, AG; Wang, A; Alva, C; Sebastian, A; Glick, SD; Deecher, DC; Bidlack, JM Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50050477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50050477&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44301963 103947647 CHEMBL299460 ZINC29565438 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50082144 CNCC12Cc3ccc(O)cc3C(C)(CCC1N)C2 InChI=1S/C16H24N2O/c1-15-6-5-14(17)16(9-15,10-18-2)8-11-3-4-12(19)7-13(11)15/h3-4,7,14,18-19H,5-6,8-10,17H2,1-2H3 OIWAOFDWJNPNPF-UHFFFAOYSA-N 50050481 10-Amino-1-methyl-9-methylaminomethyl-tricyclo[7.3.1.0*2,7*]trideca-2,4,6-trien-4-ol::CHEMBL58059 Mu-type opioid receptor Caleucoela sp. 2 MB402 91.6 ChEMBL 10.1021/jm950817g 10.7270/Q2CC0ZR8 8642554 Schultz, AG; Wang, A; Alva, C; Sebastian, A; Glick, SD; Deecher, DC; Bidlack, JM Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50050481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50050481&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44302312 103947651 CHEMBL58059 ZINC36221121 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50477734 Oc1ccc2CC3C4CC[C@@H](NC(=O)C(Cl)=C)[C@@H]5Oc1c2C45CCN3CC1CC1 InChI=1S/C23H27ClN2O3/c1-12(24)22(28)25-16-6-5-15-17-10-14-4-7-18(27)20-19(14)23(15,21(16)29-20)8-9-26(17)11-13-2-3-13/h4,7,13,15-17,21,27H,1-3,5-6,8-11H2,(H,25,28)/t15?,16-,17?,21+,23?/m1/s1 UDQTWCPWUCXLPN-CUUMVBPWSA-N 50287332 1N-[4-cyclopropylmethyl-10-hydroxy-(13R,14R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-yl]-2-chloroacrylamide::CHEMBL289426 Mu-type opioid receptor Caleucoela sp. 2 MB402 0.210000 ChEMBL 10.1016/S0960-894X(96)00274-0 10.7270/Q28P60GJ Hutchinson, I; Archer, S; Hill, KP; Bidlack, JM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50287332 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50287332&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44286867 104128903 CHEMBL289426 ZINC29328660 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50477737 CN1CCC23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)C(Cl)=C)ccc5O InChI=1S/C20H21ClN2O4/c1-10(21)18(26)22-20-6-5-13(25)17-19(20)7-8-23(2)14(20)9-11-3-4-12(24)16(27-17)15(11)19/h3-4,14,17,24H,1,5-9H2,2H3,(H,22,26)/t14?,17-,19?,20+/m0/s1 PTGZFXLUQBYANI-TVXOJQFASA-N 50287333 1N-[10-hydroxy-4-methyl-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-17-yl]-2-chloroacrylamide::CHEMBL290616 Mu-type opioid receptor Caleucoela sp. 2 MB402 5.8 ChEMBL 10.1016/S0960-894X(96)00274-0 10.7270/Q28P60GJ Hutchinson, I; Archer, S; Hill, KP; Bidlack, JM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50287333 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50287333&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44286895 104128904 CHEMBL290616 ZINC36190609 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50477740 Oc1ccc2CC3N(CC4CC4)CCC45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)C(Cl)=C InChI=1S/C23H25ClN2O4/c1-12(24)21(29)25-23-7-6-16(28)20-22(23)8-9-26(11-13-2-3-13)17(23)10-14-4-5-15(27)19(30-20)18(14)22/h4-5,13,17,20,27H,1-3,6-11H2,(H,25,29)/t17?,20-,22?,23+/m0/s1 MVSBLZZXOLNTIU-NGCYQRTHSA-N 50287334 1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-17-yl]-2-chloroacrylamide::CHEMBL288178 Mu-type opioid receptor Caleucoela sp. 2 MB402 24 ChEMBL 10.1016/S0960-894X(96)00274-0 10.7270/Q28P60GJ Hutchinson, I; Archer, S; Hill, KP; Bidlack, JM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50287334 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50287334&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44286875 104128905 CHEMBL288178 ZINC29339960 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50477744 CN1CCC23[C@H]4Oc5c2c(CC1C3CC[C@H]4NC(=O)C(Cl)=C)ccc5O InChI=1S/C20H23ClN2O3/c1-10(21)19(25)22-13-5-4-12-14-9-11-3-6-15(24)17-16(11)20(12,18(13)26-17)7-8-23(14)2/h3,6,12-14,18,24H,1,4-5,7-9H2,2H3,(H,22,25)/t12?,13-,14?,18+,20?/m1/s1 VGEFGSWMGRTTKI-SDXGEFGESA-N 50287331 1N-[10-hydroxy-4-methyl-(13R,14R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-yl]-2-chloroacrylamide::CHEMBL41366 Mu-type opioid receptor Caleucoela sp. 2 MB402 0.560000 ChEMBL 10.1016/S0960-894X(96)00274-0 10.7270/Q28P60GJ Hutchinson, I; Archer, S; Hill, KP; Bidlack, JM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50287331 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50287331&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44286876 104128902 CHEMBL41366 ZINC29339963 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50472587 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(CCC4=O)NC(=O)CSSCC(=O)N[C@]12CCC(=O)[C@@H]3Oc4c6c(C[C@H]1N(C)CC[C@@]236)ccc4O)ccc5O InChI=1S/C38H42N4O8S2/c1-41-13-11-35-29-19-3-5-21(43)31(29)49-33(35)23(45)7-9-37(35,25(41)15-19)39-27(47)17-51-52-18-28(48)40-38-10-8-24(46)34-36(38)12-14-42(2)26(38)16-20-4-6-22(44)32(50-34)30(20)36/h3-6,25-26,33-34,43-44H,7-18H2,1-2H3,(H,39,47)(H,40,48)/t25-,26-,33+,34+,35+,36+,37-,38-/m1/s1 AJDLRTLLEAPIOA-ZQUSMLRHSA-N 50030143 CHEMBL41098::bis-(1N-[10-hydroxy-4-methyl-14-oxo-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-17-yl]-2-sulfanylacetamide ) Mu-type opioid receptor Caleucoela sp. 2 MB402 0.400000 ChEMBL 10.1016/0960-894X(95)00287-4 10.7270/Q2125SNJ Bidlack, JM; Kaplan, RA; Sebastian, A; Seyed-Mozaffari, A; Hutchinson, I; Archer, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50030143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50030143&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44287020 103939126 CHEMBL41098 C15496 ZINC95542887 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50472589 CN1CC[C@]23c4c5O[C@@]2(C)C(=O)CC[C@@]3(NC(=O)CSSCC(=O)N[C@]23CCC(=O)[C@]6(C)Oc7c8c(CC2N(C)CC[C@@]368)ccc7O)C1Cc4ccc5O InChI=1S/C40H46N4O8S2/c1-35-27(47)9-11-39(25-17-21-5-7-23(45)33(51-35)31(21)37(35,39)13-15-43(25)3)41-29(49)19-53-54-20-30(50)42-40-12-10-28(48)36(2)38(40)14-16-44(4)26(40)18-22-6-8-24(46)34(52-36)32(22)38/h5-8,25-26,45-46H,9-20H2,1-4H3,(H,41,49)(H,42,50)/t25?,26?,35-,36-,37-,38-,39+,40+/m0/s1 SHVLHVKHJFEEHO-LIKQZKCKSA-N 50284914 CHEMBL297605::MET-TAMO and N-CPM-MET-TAMO analogue Mu-type opioid receptor Caleucoela sp. 2 MB402 2.9 ChEMBL 10.1016/0960-894X(95)00287-4 10.7270/Q2125SNJ Bidlack, JM; Kaplan, RA; Sebastian, A; Seyed-Mozaffari, A; Hutchinson, I; Archer, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50284914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50284914&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44292200 104126485 CHEMBL297605 C15496 ZINC95609808 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50477009 Oc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CSSCC(=O)N[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CCC1)CC[C@@]235)ccc4O InChI=1S/C46H54N4O8S2/c51-29-9-7-27-19-33-45(13-11-31(53)41-43(45,37(27)39(29)57-41)15-17-49(33)21-25-3-1-4-25)47-35(55)23-59-60-24-36(56)48-46-14-12-32(54)42-44(46)16-18-50(22-26-5-2-6-26)34(46)20-28-8-10-30(52)40(58-42)38(28)44/h7-10,25-26,33-34,41-42,51-52H,1-6,11-24H2,(H,47,55)(H,48,56)/t33-,34-,41+,42+,43+,44+,45-,46-/m1/s1 KDZXAOMQHWOCNV-NIRISHMOSA-N 50287045 CHEMBL14680::N-CBM-TAMO Mu-type opioid receptor Caleucoela sp. 2 MB402 2 ChEMBL 10.1016/0960-894X(96)00186-2 10.7270/Q2BP02R9 Archer, S; Glick, SD; Maisonneuve, IM; Bidlack, JM; Xu, JY; Teitler, M; Sebastian, A; El-Hamouly, W; Hutchinson, I TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50287045 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50287045&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 10033525 104128616 CHEMBL14680 C15496 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50732045 COCCC1CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3 DTJQBBHYRQYDEG-UHFFFAOYSA-N 50086682 (+)-18-Methoxycoronaridine hydrochloride::(+/-)-18-Methoxycoronaridine hydrochloride::(-)-18-Methoxycoronaridine hydrochloride::CHEMBL554230 Mu-type opioid receptor Caleucoela sp. 2 MB402 1100 ChEMBL 10.1016/s0960-894x(00)00033-0 10.7270/Q28W3DTX 10743951 King, CH; Meckler, H; Herr, RJ; Trova, MP; Glick, SD; Maisonneuve, IM Albany Molecular Research, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086682&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 20642899 103985866 CHEMBL554230 ZINC49650401 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50756034 COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@@]1(OC)C=C[C@@]35C[C@@H]1[C@@H](C)N=C=S InChI=1S/C24H28N2O3S/c1-14(25-13-30)16-12-22-7-8-24(16,28-4)21-23(22)9-10-26(2)18(22)11-15-5-6-17(27-3)20(29-21)19(15)23/h5-8,14,16,18,21H,9-12H2,1-4H3/t14-,16-,18-,21-,22-,23+,24-/m1/s1 XVYDBKXHAQVZDF-QHJTZBTLSA-N 50013760 (R)-1-(11,15-dimethoxy-3-methyl-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11,18-tetraen-16-yl)ethyl isothiocyanate::CHEMBL3038196 Mu-type opioid receptor Caleucoela sp. 2 MB402 1160 ChEMBL 10.1021/jm00170a038 10.7270/Q2K074WV 2165166 Klein, P; Nelson, WL; Yao, YH; Simon, EJ University of Washington http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013760 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013760&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 14760003 103925794 CHEMBL3038196 ZINC36311332 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50756035 CO[C@]12C=C[C@@]3(CC1[C@H](C)N=C=S)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 InChI=1S/C26H30N2O3S/c1-15(27-14-32)18-12-24-7-8-26(18,30-2)23-25(24)9-10-28(13-16-3-4-16)20(24)11-17-5-6-19(29)22(31-23)21(17)25/h5-8,15-16,18,20,23,29H,3-4,9-13H2,1-2H3/t15-,18?,20+,23+,24+,25-,26+/m0/s1 OUKDLWAAMCMZEI-TYYUINELSA-N 50013761 (R)-1-(3-cyclopropylmethyl-11,15-dimethoxy-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11,18-tetraen-16-yl)ethyl isothiocyanate::CHEMBL3038194 Mu-type opioid receptor Caleucoela sp. 2 MB402 0.320000 ChEMBL 10.1021/jm00170a038 10.7270/Q2K074WV 2165166 Klein, P; Nelson, WL; Yao, YH; Simon, EJ University of Washington http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013761 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013761&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 73346683 103925795 CHEMBL3038194 ZINC36311364 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50756036 Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O InChI=1S/C19H21NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,14,17,21,23H,1,5-10H2/t14-,17+,18+,19-/m1/s1 UZHSEJADLWPNLE-GRGSLBFTSA-N 50000788 (morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::(naloxone) 4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::(naloxone)4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::(naloxone)4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one (naloxone)::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one( Naloxone)::4-allyl-10,17-dihydroxy-(1S,5R,13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one(Naxolone)::4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one::4-allyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one(naloxone)C2H2O4::Analog of 14-(Arylhydroxyamino)codeinone::NALOXONE::NARCAN::SUBOXONE::[17-(2,3-3H-2-propenyl)]-4, 5a -epoxy-3,14-dihydroxymorphinan-6-one Mu-type opioid receptor Caleucoela sp. 2 MB402 5 ChEMBL 10.1021/jm00170a038 10.7270/Q2K074WV 2165166 Klein, P; Nelson, WL; Yao, YH; Simon, EJ University of Washington http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000788 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000788&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 5284596 103915330 7459 DB01183 1676 C07252 ZINC00389747 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50756038 CO[C@]12C=C[C@@]3(CC1[C@H](C)N=C=S)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45 InChI=1S/C23H26N2O3S/c1-13(24-12-29)15-11-21-6-7-23(15,27-3)20-22(21)8-9-25(2)17(21)10-14-4-5-16(26)19(28-20)18(14)22/h4-7,13,15,17,20,26H,8-11H2,1-3H3/t13-,15?,17+,20+,21+,22-,23+/m0/s1 WTVMVUJOBOGEOT-MOEIEMDKSA-N 50013763 (S)-19-(1-isothiocyanatoethyl)-15-methoxy-3-methyl-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11,16-tetraen-11-ol::CHEMBL3038197 Mu-type opioid receptor Caleucoela sp. 2 MB402 6.2 ChEMBL 10.1021/jm00170a038 10.7270/Q2K074WV 2165166 Klein, P; Nelson, WL; Yao, YH; Simon, EJ University of Washington http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013763 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013763&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 73346685 103925797 CHEMBL3038197 ZINC36311337 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50756039 CO[C@]12C=C[C@@]3(C[C@@H]1[C@H]1CC(=C)C(=O)O1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 InChI=1S/C28H31NO5/c1-15-11-20(33-24(15)31)18-13-26-7-8-28(18,32-2)25-27(26)9-10-29(14-16-3-4-16)21(26)12-17-5-6-19(30)23(34-25)22(17)27/h5-8,16,18,20-21,25,30H,1,3-4,9-14H2,2H3/t18-,20-,21-,25-,26-,27+,28-/m1/s1 OZWOAKUHWIGMQA-IXUQSROBSA-N 50013764 5-(3-cyclopropylmethyl-11-hydroxy-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11,18-tetraen-16-yl)-3-methylenetetrahydro-2-furanone::CHEMBL3038199 Mu-type opioid receptor Caleucoela sp. 2 MB402 1 ChEMBL 10.1021/jm00170a038 10.7270/Q2K074WV 2165166 Klein, P; Nelson, WL; Yao, YH; Simon, EJ University of Washington http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013764&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 73351274 103925798 CHEMBL3038199 ZINC40447617 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50756040 CO[C@]12CC[C@@]3(C[C@@H]1C(C)(C)O)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 InChI=1S/C26H35NO4/c1-23(2,29)18-13-24-8-9-26(18,30-3)22-25(24)10-11-27(14-15-4-5-15)19(24)12-16-6-7-17(28)21(31-22)20(16)25/h6-7,15,18-19,22,28-29H,4-5,8-14H2,1-3H3/t18-,19-,22-,24-,25+,26-/m1/s1 OIJXLIIMXHRJJH-KNLIIKEYSA-N 50001714 2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2R,6S,14R,15R,16R)-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11-trien-16-yl]-2-propanol::2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-(1S,2R,6S,14R,15R,16R)-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11-trien-16-yl]-2-propanol(diprenorphine)::2-[3-cyclopropylmethyl-11-hydroxy-15-methoxy-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7(12),8,10-trien-16-yl]-2-propanol::CHEMBL281786::DIPRENORPHINE-HCl::Diprenorphine Mu-type opioid receptor Caleucoela sp. 2 MB402 1.4 ChEMBL 10.1021/jm00170a038 10.7270/Q2K074WV 2165166 Klein, P; Nelson, WL; Yao, YH; Simon, EJ University of Washington http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001714 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001714&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 443408 103916129 CHEMBL281786 C11794 ZINC04102215 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50756041 COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@@]1(OC)C=C[C@@]35CC1[C@H](C)N=C=S InChI=1S/C24H28N2O3S/c1-14(25-13-30)16-12-22-7-8-24(16,28-4)21-23(22)9-10-26(2)18(22)11-15-5-6-17(27-3)20(29-21)19(15)23/h5-8,14,16,18,21H,9-12H2,1-4H3/t14-,16?,18+,21+,22+,23-,24+/m0/s1 XVYDBKXHAQVZDF-MBOWOLJHSA-N 50013766 (S)-1-(11,15-dimethoxy-3-methyl-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11,18-tetraen-16-yl)ethyl isothiocyanate::CHEMBL3038195 Mu-type opioid receptor Caleucoela sp. 2 MB402 323 ChEMBL 10.1021/jm00170a038 10.7270/Q2K074WV 2165166 Klein, P; Nelson, WL; Yao, YH; Simon, EJ University of Washington http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013766 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013766&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 73346684 103925800 CHEMBL3038195 ZINC36311359 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50756043 CCC12CCN(CC3(O)CC3)C(Cc3ccc(O)cc13)C2(C)C InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20,2)3)11-14-5-6-15(22)12-16(14)20/h5-6,12,17,22-23H,4,7-11,13H2,1-3H3 ZDXGFIXMPOUDFF-UHFFFAOYSA-N 50013388 6-Ethyl-3-(1-hydroxy-cyclopropylmethyl)-11,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol::BREMAZOCINE(-)::Bremazocine::CHEMBL350384 Mu-type opioid receptor Caleucoela sp. 2 MB402 0.500000 ChEMBL 10.1021/jm00170a038 10.7270/Q2K074WV 2165166 Klein, P; Nelson, WL; Yao, YH; Simon, EJ University of Washington http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013388 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013388&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 1223 103925603 CHEMBL350384 ZINC03870315 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50756044 COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@]1(OC)C=C[C@@]35CC1[C@H](C)N=C=S InChI=1S/C27H32N2O3S/c1-16(28-15-33)19-13-25-8-9-27(19,31-3)24-26(25)10-11-29(14-17-4-5-17)21(25)12-18-6-7-20(30-2)23(32-24)22(18)26/h6-9,16-17,19,21,24H,4-5,10-14H2,1-3H3/t16-,19?,21+,24+,25+,26-,27+/m0/s1 CBPASLHMRDUOQC-OQICXIPYSA-N 50013769 (S)-1-(3-cyclopropylmethyl-11,15-dimethoxy-13-oxa-3-azahexacyclo[13.2.2.12,8.01,6.06,14.07,12]icosa-7,9,11,18-tetraen-16-yl)ethyl isothiocyanate::CHEMBL3038198 Mu-type opioid receptor Caleucoela sp. 2 MB402 171 ChEMBL 10.1021/jm00170a038 10.7270/Q2K074WV 2165166 Klein, P; Nelson, WL; Yao, YH; Simon, EJ University of Washington http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013769 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013769&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 73355827 103925803 CHEMBL3038198 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50756045 CO[C@]12C=C[C@@]3(C[C@@H]1[C@H]1CC(=C)C(=O)O1)[C@H]1Cc4ccc(O[Si](C)(C)C(C)(C)C)c5O[C@@H]2[C@]3(CCN1C)c45 InChI=1S/C31H41NO5Si/c1-18-15-22(35-26(18)33)20-17-29-11-12-31(20,34-6)27-30(29)13-14-32(5)23(29)16-19-9-10-21(25(36-27)24(19)30)37-38(7,8)28(2,3)4/h9-12,20,22-23,27H,1,13-17H2,2-8H3/t20-,22-,23-,27-,29-,30+,31-/m1/s1 GKSKATUWAYLQMB-PNNRCKMPSA-N 50013768 3-O-(tert-Butyldimethylsilyl)-6,14-endo-etheno-7alpha-(3-carboxy-3-n-butenyl) tetrahydrooripavine gama-Lactone::CHEMBL3038193 Mu-type opioid receptor Caleucoela sp. 2 MB402 34 ChEMBL 10.1021/jm00170a038 10.7270/Q2K074WV 2165166 Klein, P; Nelson, WL; Yao, YH; Simon, EJ University of Washington http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013768 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013768&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 73352755 103925802 CHEMBL3038193 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50754916 COC(=O)C(=C)COC1CCC2(O)C3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CC1)c45 InChI=1S/C25H31NO6/c1-14(23(28)30-2)13-31-18-7-8-25(29)19-11-16-5-6-17(27)21-20(16)24(25,22(18)32-21)9-10-26(19)12-15-3-4-15/h5-6,15,18-19,22,27,29H,1,3-4,7-13H2,2H3/t18?,19?,22?,24-,25?/m0/s1 ZLKXBHFJETUNMU-JBFAYCCDSA-N 50013385 CHEMBL166355::methyl 2-[4-cyclopropylmethyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-14-yloxymethyl]acrylate Mu-type opioid receptor Caleucoela sp. 2 MB402 0.180000 ChEMBL 10.1021/jm00164a043 10.7270/Q2SN09J6 2153826 Olsen, LD; Klein, P; Nelson, WL; Yao, YH; Simon, EJ University of Washington http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013385 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013385&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44376990 103925600 CHEMBL166355 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50754917 Oc1ccc2CC3N(CC4CC4)CC[C@@]45C(Oc1c24)C1(CC(=C)C(=O)O1)CCC35O InChI=1S/C24H27NO5/c1-13-11-22(30-20(13)27)6-7-24(28)17-10-15-4-5-16(26)19-18(15)23(24,21(22)29-19)8-9-25(17)12-14-2-3-14/h4-5,14,17,21,26,28H,1-3,6-12H2/t17?,21?,22?,23-,24?/m0/s1 NSWUMSODAMAGRB-XGIRQVKWSA-N 50013386 4,5alpha-Epoxy-3,6alpha, 14-trihydroxy-6beta-(2-carboxyallyl)-17-(cyclopropylmethyl) morphinnan gama-lactone::4,5alpha-Epoxy-3,6alpha, 14-trihydroxy-6beta-(2-carboxyallyl)-17-methylmorphinnan gama-lactone::4-cyclopropylmethyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-14-yl lactone::Naltrexone analogue Mu-type opioid receptor Caleucoela sp. 2 MB402 1.8 ChEMBL 10.1021/jm00164a043 10.7270/Q2SN09J6 2153826 Olsen, LD; Klein, P; Nelson, WL; Yao, YH; Simon, EJ University of Washington http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013386 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013386&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44292859 103925601 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50754922 CC(=C)C(=O)OC1CCC2(O)C3Cc4ccc(O)c5OC1[C@]2(CCN3CC1CC1)c45 InChI=1S/C24H29NO5/c1-13(2)22(27)29-17-7-8-24(28)18-11-15-5-6-16(26)20-19(15)23(24,21(17)30-20)9-10-25(18)12-14-3-4-14/h5-6,14,17-18,21,26,28H,1,3-4,7-12H2,2H3/t17?,18?,21?,23-,24?/m0/s1 XYCPEHAPRMZWKX-MKUMLKGRSA-N 50013387 4-cyclopropylmethyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-14-yl 2-methylacrylate::CHEMBL163704 Mu-type opioid receptor Caleucoela sp. 2 MB402 1.0 ChEMBL 10.1021/jm00164a043 10.7270/Q2SN09J6 2153826 Olsen, LD; Klein, P; Nelson, WL; Yao, YH; Simon, EJ University of Washington http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50013387 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50013387&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44376989 103925602 CHEMBL163704 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50767710 CN1CC[C@@]23[C@H]4Oc5c2c(CC1[C@@]3(CCC4=O)NC(=O)CS)ccc5O InChI=1S/C19H22N2O4S/c1-21-7-6-18-15-10-2-3-11(22)16(15)25-17(18)12(23)4-5-19(18,13(21)8-10)20-14(24)9-26/h2-3,13,17,22,26H,4-9H2,1H3,(H,20,24)/t13?,17-,18-,19+/m0/s1 IFWCCHXFUMLVAF-IKJNLRRPSA-N 50030144 1N-[10-hydroxy-4-methyl-14-oxo-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-17-yl]-2-sulfanylacetamide Mu-type opioid receptor Caleucoela sp. 2 MB402 0.63 ChEMBL 10.1021/jm00037a008 10.7270/Q29024FN 7515442 Archer, S; Seyed-Mozaffari, A; Jiang, Q; Bidlack, JM Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50030144 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50030144&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44287058 103939127 ZINC13736733 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50767712 Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35NC(=O)CSSCC(=O)N[C@]12CCC(=O)[C@@H]3Oc4c5c(C[C@H]1N(CC1CC1)CC[C@@]235)ccc4O InChI=1S/C44H50N4O8S2/c49-27-7-5-25-17-31-43(11-9-29(51)39-41(43,35(25)37(27)55-39)13-15-47(31)19-23-1-2-23)45-33(53)21-57-58-22-34(54)46-44-12-10-30(52)40-42(44)14-16-48(20-24-3-4-24)32(44)18-26-6-8-28(50)38(56-40)36(26)42/h5-8,23-24,31-32,39-40,49-50H,1-4,9-22H2,(H,45,53)(H,46,54)/t31-,32-,39+,40+,41+,42+,43-,44-/m1/s1 CYNYZGWJRWHWPG-CTHHFRLWSA-N 50030145 CHEMBL290701::bis-(1N-[4-cyclopropylmethyl-10-hydroxy-14-oxo-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-17-yl]-2-sulfanylacetamide) Mu-type opioid receptor Caleucoela sp. 2 MB402 3.3 ChEMBL 10.1021/jm00037a008 10.7270/Q29024FN 7515442 Archer, S; Seyed-Mozaffari, A; Jiang, Q; Bidlack, JM Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50030145 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50030145&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44287225 103939128 CHEMBL290701 C15496 ZINC95608892 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50767715 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(CCC4=O)NC(=O)CSSCC(=O)N[C@]12CCC(=O)[C@@H]3Oc4c6c(C[C@H]1N(C)CC[C@@]236)ccc4O)ccc5O InChI=1S/C38H42N4O8S2/c1-41-13-11-35-29-19-3-5-21(43)31(29)49-33(35)23(45)7-9-37(35,25(41)15-19)39-27(47)17-51-52-18-28(48)40-38-10-8-24(46)34-36(38)12-14-42(2)26(38)16-20-4-6-22(44)32(50-34)30(20)36/h3-6,25-26,33-34,43-44H,7-18H2,1-2H3,(H,39,47)(H,40,48)/t25-,26-,33+,34+,35+,36+,37-,38-/m1/s1 AJDLRTLLEAPIOA-ZQUSMLRHSA-N 50030143 CHEMBL41098::bis-(1N-[10-hydroxy-4-methyl-14-oxo-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-17-yl]-2-sulfanylacetamide ) Mu-type opioid receptor Caleucoela sp. 2 MB402 0.40 ChEMBL 10.1021/jm00037a008 10.7270/Q29024FN 7515442 Archer, S; Seyed-Mozaffari, A; Jiang, Q; Bidlack, JM Institute http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50030143 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50030143&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44287020 103939126 CHEMBL41098 C15496 ZINC95542887 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50583124 COCCC1CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3 DTJQBBHYRQYDEG-UHFFFAOYSA-N 50086682 (+)-18-Methoxycoronaridine hydrochloride::(+/-)-18-Methoxycoronaridine hydrochloride::(-)-18-Methoxycoronaridine hydrochloride::CHEMBL554230 Mu-type opioid receptor Caleucoela sp. 2 MB402 740 ChEMBL 10.1016/s0960-894x(00)00033-0 10.7270/Q28W3DTX 10743951 King, CH; Meckler, H; Herr, RJ; Trova, MP; Glick, SD; Maisonneuve, IM Albany Molecular Research, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086682&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 20642899 103985866 CHEMBL554230 ZINC49650401 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50583125 COCCC1CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3 DTJQBBHYRQYDEG-UHFFFAOYSA-N 50086682 (+)-18-Methoxycoronaridine hydrochloride::(+/-)-18-Methoxycoronaridine hydrochloride::(-)-18-Methoxycoronaridine hydrochloride::CHEMBL554230 Mu-type opioid receptor Caleucoela sp. 2 MB402 1100 ChEMBL 10.1016/s0960-894x(00)00033-0 10.7270/Q28W3DTX 10743951 King, CH; Meckler, H; Herr, RJ; Trova, MP; Glick, SD; Maisonneuve, IM Albany Molecular Research, Inc. http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086682 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086682&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 20642899 103985866 CHEMBL554230 ZINC49650401 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50562901 C[C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@]5(CCC2=O)NC(=O)CSSCC(=O)N[C@]12CCC(=O)[C@]4(C)Oc5c6c(C[C@H]1N(CC1CC1)CC[C@@]246)ccc5O)ccc3O InChI=1S/C46H54N4O8S2/c1-41-33(53)11-13-45(31-19-27-7-9-29(51)39(57-41)37(27)43(41,45)15-17-49(31)21-25-3-4-25)47-35(55)23-59-60-24-36(56)48-46-14-12-34(54)42(2)44(46)16-18-50(22-26-5-6-26)32(46)20-28-8-10-30(52)40(58-42)38(28)44/h7-10,25-26,31-32,51-52H,3-6,11-24H2,1-2H3,(H,47,55)(H,48,56)/t31-,32-,41+,42+,43+,44+,45-,46-/m1/s1 DHHKGYXJJAWJDM-FIYJTVGMSA-N 50421363 CHEMBL2304424 Mu-type opioid receptor Caleucoela sp. 2 MB402 0.400000 ChEMBL 10.1016/0960-894X(95)00287-4 10.7270/Q2125SNJ Bidlack, JM; Kaplan, RA; Sebastian, A; Seyed-Mozaffari, A; Hutchinson, I; Archer, S TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50421363 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50421363&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 71720326 164150238 CHEMBL2304424 C15496 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50000590 CN1CCC2(CCCC1[C@@H]2O)c1cccc(O)c1 InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m0/s1 CTLFZKBHJPSVMV-SLTAFYQDSA-N 50000572 5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]nonan-9-ol::CHEMBL36707 Mu-type opioid receptor Caleucoela sp. 2 MB402 75 ChEMBL 10.1021/jm00087a004 10.7270/Q22806JN 1315868 Froimowitz, M; Pick, CG; Pasternak, GW Harvard Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000572 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000572&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44285070 103915120 CHEMBL36707 ZINC13454258 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50000597 CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1 BQJCRHHNABKAKU-KBQPJGBKSA-N 50000092 (-)-(etorphine)::(-)-morphine::(1S,5R,13R,14S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::(Morphine)::(Morphine)4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::(morphine) 4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::1N-[2-(5-dimethylaminomethyl-2-furylmethylsulfanyl)ethyl]-1N-methyl-2-nitro-(Z)-1-ethene-1,1-diamine::2-[2-{2-[2-(2-Amino-3-phenyl-propionylamino)-acetylamino]-acetylamino}-3-(4-hydroxy-phenyl)-propionylamino]-4-methylsulfanyl-butyric acid::2-{4-[2,4-diamino-6-pteridinylmethyl(methyl)amino]phenylcarboxamido}pentanedioic acid(morphine)::3-(4-Hydroxy-phenyl)-1-propyl-piperidine-3-carboxylic acid ethyl ester::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol ; HydroChloride::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol ;sulphate salt(morphine)::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol((Morphine))::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(Morphine sulfate)::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(Morphine)(HCl)::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(morphine)::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol,sulfate(Morphinesulfate)::4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diolMorphine::4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol (morphine)::4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol(Morphine)::6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol(Morphine)::6-tert-Butyl-3-methyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocine::7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol(morphine)::AMBENYL::AVINZA::Analog of 14-(Arylhydroxyamino)codeinone::BDB50000092::BROMANYL::CHEMBL70::CODRIX::DEPODUR::DIMETANE-DC::INFUMORPH::KADIAN::MORPHINE::MYBANIL::Morphine;4-methyl-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraene-10,14-diol::TRIACIN-C::US9133125, Table D, morphine Mu-type opioid receptor Caleucoela sp. 2 MB402 2.5 ChEMBL 10.1021/jm00087a004 10.7270/Q22806JN 1315868 Froimowitz, M; Pick, CG; Pasternak, GW Harvard Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000092&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search MOI 8EF6,1Q0Y,7U62 5288826 103914789 17303 CHEMBL70 DB00295 1627 C01516 ZINC03812983 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50668420 CN1CCC2(CCCC1C2)c1cccc(O)c1 InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3 ZQJGRSYDDMBMPJ-UHFFFAOYSA-N 50000570 3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol::CHEMBL285250 Mu-type opioid receptor Caleucoela sp. 2 MB402 63.0 ChEMBL 10.1021/jm00087a004 10.7270/Q22806JN 1315868 Froimowitz, M; Pick, CG; Pasternak, GW Harvard Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000570&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 12368881 103915118 CHEMBL285250 ZINC05966698 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50668428 CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H]1C(O)=O InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21+,23-,24-/m0/s1 MCMMCRYPQBNCPH-DVKRWUGUSA-N 50001683 13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid::7-Benzyl-10-{[3-(4-hydroxy-phenyl)-pyrrolidine-2-carbonyl]-amino}-3,3-dimethyl-6,9-dioxo-1,2-dithia-5,8-diaza-cycloundecane-4-carboxylic acid::CHEMBL294616::DPDPE Mu-type opioid receptor Caleucoela sp. 2 MB402 82 ChEMBL 10.1021/jm00087a004 10.7270/Q22806JN 1315868 Froimowitz, M; Pick, CG; Pasternak, GW Harvard Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50001683 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50001683&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44299404 103916113 CHEMBL294616 ZINC27520031 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50668445 C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1 JBSRPCWYMOJXAM-UWTIGNOOSA-N 50000571 3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol::5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]nonan-9-ol::CHEMBL287726 Mu-type opioid receptor Caleucoela sp. 2 MB402 190 ChEMBL 10.1021/jm00087a004 10.7270/Q22806JN 1315868 Froimowitz, M; Pick, CG; Pasternak, GW Harvard Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000571&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44285029 103915119 CHEMBL287726 ZINC13454262 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50668446 C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1 JBSRPCWYMOJXAM-UWTIGNOOSA-N 50000571 3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol::5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]nonan-9-ol::CHEMBL287726 Mu-type opioid receptor Caleucoela sp. 2 MB402 50.0 ChEMBL 10.1021/jm00087a004 10.7270/Q22806JN 1315868 Froimowitz, M; Pick, CG; Pasternak, GW Harvard Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000571&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44285029 103915119 CHEMBL287726 ZINC13454262 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50668447 CN1CCC2(CCCC1C2)c1cccc(O)c1 InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3 ZQJGRSYDDMBMPJ-UHFFFAOYSA-N 50000570 3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol::CHEMBL285250 Mu-type opioid receptor Caleucoela sp. 2 MB402 13.0 ChEMBL 10.1021/jm00087a004 10.7270/Q22806JN 1315868 Froimowitz, M; Pick, CG; Pasternak, GW Harvard Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000570&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 12368881 103915118 CHEMBL285250 ZINC05966698 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50668448 CN1CCC2(CCCC1C2)c1cccc(O)c1 InChI=1S/C15H21NO/c1-16-9-8-15(7-3-5-13(16)11-15)12-4-2-6-14(17)10-12/h2,4,6,10,13,17H,3,5,7-9,11H2,1H3 ZQJGRSYDDMBMPJ-UHFFFAOYSA-N 50000570 3-(2-Methyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol::CHEMBL285250 Mu-type opioid receptor Caleucoela sp. 2 MB402 3.40 ChEMBL 10.1021/jm00087a004 10.7270/Q22806JN 1315868 Froimowitz, M; Pick, CG; Pasternak, GW Harvard Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000570 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000570&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 12368881 103915118 CHEMBL285250 ZINC05966698 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50668449 C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1 JBSRPCWYMOJXAM-UWTIGNOOSA-N 50000571 3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol::5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]nonan-9-ol::CHEMBL287726 Mu-type opioid receptor Caleucoela sp. 2 MB402 18.0 ChEMBL 10.1021/jm00087a004 10.7270/Q22806JN 1315868 Froimowitz, M; Pick, CG; Pasternak, GW Harvard Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000571&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44285029 103915119 CHEMBL287726 ZINC13454262 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50668450 C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1 JBSRPCWYMOJXAM-UWTIGNOOSA-N 50000571 3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol::5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]nonan-9-ol::CHEMBL287726 Mu-type opioid receptor Caleucoela sp. 2 MB402 140 ChEMBL 10.1021/jm00087a004 10.7270/Q22806JN 1315868 Froimowitz, M; Pick, CG; Pasternak, GW Harvard Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000571&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44285029 103915119 CHEMBL287726 ZINC13454262 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50668451 C[C@@H]1C2CCCC1(CCN2C)c1cccc(O)c1 InChI=1S/C16H23NO/c1-12-15-7-4-8-16(12,9-10-17(15)2)13-5-3-6-14(18)11-13/h3,5-6,11-12,15,18H,4,7-10H2,1-2H3/t12-,15?,16?/m1/s1 JBSRPCWYMOJXAM-UWTIGNOOSA-N 50000571 3-(2,9-Dimethyl-2-aza-bicyclo[3.3.1]non-5-yl)-phenol::5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]nonan-9-ol::CHEMBL287726 Mu-type opioid receptor Caleucoela sp. 2 MB402 140 ChEMBL 10.1021/jm00087a004 10.7270/Q22806JN 1315868 Froimowitz, M; Pick, CG; Pasternak, GW Harvard Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000571 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000571&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44285029 103915119 CHEMBL287726 ZINC13454262 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 50668452 CN1CCC2(CCCC1[C@H]2O)c1cccc(O)c1 InChI=1S/C15H21NO2/c1-16-9-8-15(7-3-6-13(16)14(15)18)11-4-2-5-12(17)10-11/h2,4-5,10,13-14,17-18H,3,6-9H2,1H3/t13?,14-,15?/m1/s1 CTLFZKBHJPSVMV-SHARSMKWSA-N 50000569 5-(3-Hydroxy-phenyl)-2-methyl-2-aza-bicyclo[3.3.1]nonan-9-ol::CHEMBL290855 Mu-type opioid receptor Caleucoela sp. 2 MB402 28 ChEMBL 10.1021/jm00087a004 10.7270/Q22806JN 1315868 Froimowitz, M; Pick, CG; Pasternak, GW Harvard Medical School http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50000569 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50000569&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 44284742 103915117 CHEMBL290855 ZINC13454255 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 51475315 Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-24(34)29(44)40-26(12-8-14-38-32(36)37)30(45)41-27(17-21-9-4-3-5-10-21)31(46)39-25(28(35)43)11-6-7-13-33/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,44)(H,41,45)(H4,36,37,38)/t24-,25-,26+,27-/m0/s1 FIAKHZXVLBNZLW-NFGXINMFSA-N 50010483 CHEMBL2181202 Mu-type opioid receptor Caleucoela sp. 2 MB402 0.140000 ChEMBL 10.7270/Q22B931S 34995453 Smith, MT; Kong, D; Kuo, A; Imam, MZ; Williams, CM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50010483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50010483&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 9809562 242057631 CHEMBL2181202 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 51475316 CN(CC(O)=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(O)cc1 InChI=1S/C27H37N7O6/c1-34(16-23(36)37)26(40)22(15-17-6-3-2-4-7-17)33-25(39)21(8-5-13-31-27(29)30)32-24(38)20(28)14-18-9-11-19(35)12-10-18/h2-4,6-7,9-12,20-22,35H,5,8,13-16,28H2,1H3,(H,32,38)(H,33,39)(H,36,37)(H4,29,30,31)/t20-,21+,22-/m0/s1 WASWOPUPHSYARB-BDTNDASRSA-N 50594853 CHEMBL1355638 Mu-type opioid receptor Caleucoela sp. 2 MB402 0.500000 ChEMBL 10.7270/Q22B931S 34995453 Smith, MT; Kong, D; Kuo, A; Imam, MZ; Williams, CM TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50594853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50594853&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 10325393 482605705 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 4DKL Mu-type opioid receptor OPRM_BOVIN P79350 51536693 CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(C2)CCc1c3[nH]c2ccc(OC)cc12 InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1 HSIBGVUMFOSJPD-CFDPKNGZSA-N 50308247 CHEMBL1215855 Mu-type opioid receptor Bos taurus 2.0 ChEMBL 10.1021/acs.jmedchem.2c01562 10.7270/Q21G0RMX 36440853 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50308247 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50308247&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search HJM 6DZY,6DZZ,6DZV 25181450 104162608 ZINC43203006 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 9BQJ,7U2L,7U2K,7T2H,7SCG,6DDF,6DDE,4DKL Mu-type opioid receptor OPRM_BOVIN P79350 51536694 COCC[C@H]1C[C@H]2CN3CCc4c([nH]c5ccc(OC)cc45)[C@](C2)([C@H]13)C(=O)OC InChI=1S/C23H30N2O4/c1-27-9-7-15-10-14-12-23(22(26)29-3)20-17(6-8-25(13-14)21(15)23)18-11-16(28-2)4-5-19(18)24-20/h4-5,11,14-15,21,24H,6-10,12-13H2,1-3H3/t14-,15+,21+,23-/m1/s1 JLHTUHPOTUETFI-USYHLRJESA-N 50618164 CHEMBL5440131 Mu-type opioid receptor Bos taurus 1.1 ChEMBL 10.1021/acs.jmedchem.2c01562 10.7270/Q21G0RMX 36440853 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50618164 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=49000878&target=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50618164&enzyme=Mu-type+opioid+receptor&column=ki&startPg=0&Increment=50&submit=Search 1 MDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP 9BQJ,7U2L,7U2K,7T2H,7SCG,6DDF,6DDE,4DKL Mu-type opioid receptor OPRM_BOVIN P79350