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 51398647 CCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C22H36N6O7S/c1-2-3-4-5-6-7-8-9-10-11-16(29)27-36(32,33)34-12-15-18(30)19(31)22(35-15)28-14-26-17-20(23)24-13-25-21(17)28/h13-15,18-19,22,30-31H,2-12H2,1H3,(H,27,29)(H2,23,24,25)/t15-,18-,19-,22-/m1/s1 RIOYIVFVKHSLHF-CIVUBGFFSA-N 50565055 CHEMBL1213367 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase 4900 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565055&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 25113195 461685393 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398649 CCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C14H20N6O7S/c1-2-3-8(21)19-28(24,25)26-4-7-10(22)11(23)14(27-7)20-6-18-9-12(15)16-5-17-13(9)20/h5-7,10-11,14,22-23H,2-4H2,1H3,(H,19,21)(H2,15,16,17)/t7-,10-,11-,14-/m1/s1 TYNAHCKXSBKYTA-FRJWGUMJSA-N 50565057 CHEMBL4797246 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565057 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565057&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162674707 461685395 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398650 CCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C16H24N6O7S/c1-2-3-4-5-10(23)21-30(26,27)28-6-9-12(24)13(25)16(29-9)22-8-20-11-14(17)18-7-19-15(11)22/h7-9,12-13,16,24-25H,2-6H2,1H3,(H,21,23)(H2,17,18,19)/t9-,12-,13-,16-/m1/s1 YWTBZUGWPNUPRC-RVXWVPLUSA-N 50565058 CHEMBL4779661 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565058 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565058&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 25113194 461685396 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398651 CCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C18H28N6O7S/c1-2-3-4-5-6-7-12(25)23-32(28,29)30-8-11-14(26)15(27)18(31-11)24-10-22-13-16(19)20-9-21-17(13)24/h9-11,14-15,18,26-27H,2-8H2,1H3,(H,23,25)(H2,19,20,21)/t11-,14-,15-,18-/m1/s1 VOJULRAUYRJNQO-XKLVTHTNSA-N 50565059 CHEMBL4787345 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565059&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162668249 461685397 C16236 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398652 CCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C20H32N6O7S/c1-2-3-4-5-6-7-8-9-14(27)25-34(30,31)32-10-13-16(28)17(29)20(33-13)26-12-24-15-18(21)22-11-23-19(15)26/h11-13,16-17,20,28-29H,2-10H2,1H3,(H,25,27)(H2,21,22,23)/t13-,16-,17-,20-/m1/s1 WHJSYVVAGQVYEC-AEVYOOLXSA-N 50565060 CHEMBL4800285 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565060&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162677206 461685398 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398653 CCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C22H36N6O7S/c1-2-3-4-5-6-7-8-9-10-11-16(29)27-36(32,33)34-12-15-18(30)19(31)22(35-15)28-14-26-17-20(23)24-13-25-21(17)28/h13-15,18-19,22,30-31H,2-12H2,1H3,(H,27,29)(H2,23,24,25)/t15-,18-,19-,22-/m1/s1 RIOYIVFVKHSLHF-CIVUBGFFSA-N 50565055 CHEMBL1213367 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase 67400 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565055 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565055&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 25113195 461685393 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398654 CCCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C24H40N6O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(31)29-38(34,35)36-14-17-20(32)21(33)24(37-17)30-16-28-19-22(25)26-15-27-23(19)30/h15-17,20-21,24,32-33H,2-14H2,1H3,(H,29,31)(H2,25,26,27)/t17-,20-,21-,24-/m1/s1 FNYPBZKSPJNLFS-FGSUIDRYSA-N 50565061 CHEMBL4793406 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase 10000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565061&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162674148 461685399 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398655 CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C26H44N6O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(33)31-40(36,37)38-16-19-22(34)23(35)26(39-19)32-18-30-21-24(27)28-17-29-25(21)32/h17-19,22-23,26,34-35H,2-16H2,1H3,(H,31,33)(H2,27,28,29)/t19-,22-,23-,26-/m1/s1 ISYQHZMNRMKGOH-VJUOEERUSA-N 50565062 CHEMBL4794550 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase 32000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565062 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565062&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 155813854 461685400 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398656 CCCCCCCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C28H48N6O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(35)33-42(38,39)40-18-21-24(36)25(37)28(41-21)34-20-32-23-26(29)30-19-31-27(23)34/h19-21,24-25,28,36-37H,2-18H2,1H3,(H,33,35)(H2,29,30,31)/t21-,24-,25-,28-/m1/s1 ZMENLHDYMIKWIZ-VGSCBBJJSA-N 50565063 CHEMBL4789026 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase 2400 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565063 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565063&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162669808 461685401 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398657 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCC#C)[C@@H](O)[C@H]1O InChI=1S/C21H30N6O7S/c1-2-3-4-5-6-7-8-9-10-15(28)26-35(31,32)33-11-14-17(29)18(30)21(34-14)27-13-25-16-19(22)23-12-24-20(16)27/h1,12-14,17-18,21,29-30H,3-11H2,(H,26,28)(H2,22,23,24)/t14-,17-,18-,21-/m1/s1 GFDGNIOSUJXFOF-HAXDFEGKSA-N 50565064 CHEMBL4798727 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565064 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565064&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162676018 461685402 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398658 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCC=C)[C@@H](O)[C@H]1O InChI=1S/C21H32N6O7S/c1-2-3-4-5-6-7-8-9-10-15(28)26-35(31,32)33-11-14-17(29)18(30)21(34-14)27-13-25-16-19(22)23-12-24-20(16)27/h2,12-14,17-18,21,29-30H,1,3-11H2,(H,26,28)(H2,22,23,24)/t14-,17-,18-,21-/m1/s1 JYRPKBKOEFFERA-HAXDFEGKSA-N 50565065 CHEMBL4783693 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565065 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565065&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162666436 461685403 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398659 CCCCCCCCC\C=C\C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C22H34N6O7S/c1-2-3-4-5-6-7-8-9-10-11-16(29)27-36(32,33)34-12-15-18(30)19(31)22(35-15)28-14-26-17-20(23)24-13-25-21(17)28/h10-11,13-15,18-19,22,30-31H,2-9,12H2,1H3,(H,27,29)(H2,23,24,25)/b11-10+/t15-,18-,19-,22-/m1/s1 LDPZZPXNXVORTR-GVUXWKHASA-N 50565066 CHEMBL4789057 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565066 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565066&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162670265 461685404 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398660 CCCCCC\C=C\CCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C22H34N6O7S/c1-2-3-4-5-6-7-8-9-10-11-16(29)27-36(32,33)34-12-15-18(30)19(31)22(35-15)28-14-26-17-20(23)24-13-25-21(17)28/h7-8,13-15,18-19,22,30-31H,2-6,9-12H2,1H3,(H,27,29)(H2,23,24,25)/b8-7+/t15-,18-,19-,22-/m1/s1 YHYILWVEULQOQU-DXZWLVDASA-N 50565067 CHEMBL4791922 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565067 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565067&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162671804 461685405 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398661 CCCCCC\C=C/CCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C22H34N6O7S/c1-2-3-4-5-6-7-8-9-10-11-16(29)27-36(32,33)34-12-15-18(30)19(31)22(35-15)28-14-26-17-20(23)24-13-25-21(17)28/h7-8,13-15,18-19,22,30-31H,2-6,9-12H2,1H3,(H,27,29)(H2,23,24,25)/b8-7-/t15-,18-,19-,22-/m1/s1 YHYILWVEULQOQU-ZHTRBDLSSA-N 50565068 CHEMBL4790765 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565068 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565068&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162672191 461685406 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398662 CCCCCCCCC[C@@H]1C[C@@H]1C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C23H36N6O7S/c1-2-3-4-5-6-7-8-9-14-10-15(14)22(32)28-37(33,34)35-11-16-18(30)19(31)23(36-16)29-13-27-17-20(24)25-12-26-21(17)29/h12-16,18-19,23,30-31H,2-11H2,1H3,(H,28,32)(H2,24,25,26)/t14-,15+,16-,18-,19-,23-/m1/s1 PQHKXVXUSBDOOF-GFCVIOQMSA-N 50565069 CHEMBL4799388 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565069 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565069&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162676431 461685407 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398663 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCO)[C@@H](O)[C@H]1O InChI=1S/C21H34N6O8S/c22-19-16-20(24-12-23-19)27(13-25-16)21-18(31)17(30)14(35-21)11-34-36(32,33)26-15(29)9-7-5-3-1-2-4-6-8-10-28/h12-14,17-18,21,28,30-31H,1-11H2,(H,26,29)(H2,22,23,24)/t14-,17-,18-,21-/m1/s1 AGMQGLWXNSDCGW-HAXDFEGKSA-N 50565070 CHEMBL4788624 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565070 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565070&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162669278 461685408 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398664 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCCN=[N+]=[N-])[C@@H](O)[C@H]1O InChI=1S/C22H35N9O7S/c23-20-17-21(26-13-25-20)31(14-27-17)22-19(34)18(33)15(38-22)12-37-39(35,36)29-16(32)10-8-6-4-2-1-3-5-7-9-11-28-30-24/h13-15,18-19,22,33-34H,1-12H2,(H,29,32)(H2,23,25,26)/t15-,18-,19-,22-/m1/s1 NKWIVOQUBXFHCE-CIVUBGFFSA-N 50565071 CHEMBL4799593 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565071 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565071&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162677343 461685409 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398665 NCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C22H37N7O7S/c23-11-9-7-5-3-1-2-4-6-8-10-16(30)28-37(33,34)35-12-15-18(31)19(32)22(36-15)29-14-27-17-20(24)25-13-26-21(17)29/h13-15,18-19,22,31-32H,1-12,23H2,(H,28,30)(H2,24,25,26)/t15-,18-,19-,22-/m1/s1 XLYDHUOLVOCOQD-CIVUBGFFSA-N 50565072 CHEMBL4791297 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase 93300 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565072 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565072&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162670808 461685410 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398666 COC(=O)CCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C21H32N6O9S/c1-34-15(29)9-7-5-3-2-4-6-8-14(28)26-37(32,33)35-10-13-17(30)18(31)21(36-13)27-12-25-16-19(22)23-11-24-20(16)27/h11-13,17-18,21,30-31H,2-10H2,1H3,(H,26,28)(H2,22,23,24)/t13-,17-,18-,21-/m1/s1 GSZDZVZLDONQBT-RAXVHSSMSA-N 50565073 CHEMBL4795365 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565073 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565073&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162674110 461685411 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398667 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCC(O)=O)[C@@H](O)[C@H]1O InChI=1S/C20H30N6O9S/c21-18-15-19(23-10-22-18)26(11-24-15)20-17(31)16(30)12(35-20)9-34-36(32,33)25-13(27)7-5-3-1-2-4-6-8-14(28)29/h10-12,16-17,20,30-31H,1-9H2,(H,25,27)(H,28,29)(H2,21,22,23)/t12-,16-,17-,20-/m1/s1 NXYASUPQOLTZJX-QQRWZLOUSA-N 50565074 CHEMBL4780409 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565074 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565074&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162663869 461685412 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398668 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2)[C@@H](O)[C@H]1O InChI=1S/C27H38N6O8S/c28-25-22-26(30-17-29-25)33(18-31-22)27-24(36)23(35)20(41-27)16-40-42(37,38)32-21(34)14-10-5-3-1-2-4-6-11-15-39-19-12-8-7-9-13-19/h7-9,12-13,17-18,20,23-24,27,35-36H,1-6,10-11,14-16H2,(H,32,34)(H2,28,29,30)/t20-,23-,24-,27-/m1/s1 VLRIGNDIFPKPGQ-ZCIWVVNKSA-N 50565075 CHEMBL4784453 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565075 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565075&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 649 118987041 461685413 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398669 CCCCCCCCC[C@@H](C)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C22H36N6O7S/c1-3-4-5-6-7-8-9-10-14(2)21(31)27-36(32,33)34-11-15-17(29)18(30)22(35-15)28-13-26-16-19(23)24-12-25-20(16)28/h12-15,17-18,22,29-30H,3-11H2,1-2H3,(H,27,31)(H2,23,24,25)/t14-,15-,17-,18-,22-/m1/s1 YHJBQVKMEHMNSJ-JBDHLQPBSA-N 50565076 CHEMBL4792020 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565076 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565076&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162670847 461685414 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398670 CCCCCCCCC[C@H](C)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C22H36N6O7S/c1-3-4-5-6-7-8-9-10-14(2)21(31)27-36(32,33)34-11-15-17(29)18(30)22(35-15)28-13-26-16-19(23)24-12-25-20(16)28/h12-15,17-18,22,29-30H,3-11H2,1-2H3,(H,27,31)(H2,23,24,25)/t14-,15+,17+,18+,22+/m0/s1 YHJBQVKMEHMNSJ-ARTPSBNFSA-N 50565077 CHEMBL4790296 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565077 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565077&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162668400 461685415 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398671 CCCCCCCCCC(C)(C)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C23H38N6O7S/c1-4-5-6-7-8-9-10-11-23(2,3)22(32)28-37(33,34)35-12-15-17(30)18(31)21(36-15)29-14-27-16-19(24)25-13-26-20(16)29/h13-15,17-18,21,30-31H,4-12H2,1-3H3,(H,28,32)(H2,24,25,26)/t15-,17-,18-,21-/m1/s1 RTENCTLFICQDAC-QTQZEZTPSA-N 50565078 CHEMBL4783512 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase 54700 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565078&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162665977 461685416 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398672 CCCCCCCCCOCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C21H34N6O8S/c1-2-3-4-5-6-7-8-9-33-11-15(28)26-36(31,32)34-10-14-17(29)18(30)21(35-14)27-13-25-16-19(22)23-12-24-20(16)27/h12-14,17-18,21,29-30H,2-11H2,1H3,(H,26,28)(H2,22,23,24)/t14-,17-,18-,21-/m1/s1 DMXVUOGFRWKZBY-HAXDFEGKSA-N 50565079 CHEMBL4795362 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565079&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162674108 461685417 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398673 CCCCOCCOCCOCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C20H32N6O10S/c1-2-3-4-32-5-6-33-7-8-34-10-14(27)25-37(30,31)35-9-13-16(28)17(29)20(36-13)26-12-24-15-18(21)22-11-23-19(15)26/h11-13,16-17,20,28-29H,2-10H2,1H3,(H,25,27)(H2,21,22,23)/t13-,16-,17-,20-/m1/s1 WBHSACVCNRSSRK-AEVYOOLXSA-N 50565080 CHEMBL4783410 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565080&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162666513 461685418 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398674 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCOc2ccccc2)[C@@H](O)[C@H]1O InChI=1S/C26H36N6O8S/c27-24-21-25(29-16-28-24)32(17-30-21)26-23(35)22(34)19(40-26)15-39-41(36,37)31-20(33)13-9-4-2-1-3-5-10-14-38-18-11-7-6-8-12-18/h6-8,11-12,16-17,19,22-23,26,34-35H,1-5,9-10,13-15H2,(H,31,33)(H2,27,28,29)/t19-,22-,23-,26-/m1/s1 VHJNYNTVABVIEB-VJUOEERUSA-N 50565081 CHEMBL4798925 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565081 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565081&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162676027 461685419 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398675 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCCOc2ccccc2)[C@@H](O)[C@H]1O InChI=1S/C28H40N6O8S/c29-26-23-27(31-18-30-26)34(19-32-23)28-25(37)24(36)21(42-28)17-41-43(38,39)33-22(35)15-11-6-4-2-1-3-5-7-12-16-40-20-13-9-8-10-14-20/h8-10,13-14,18-19,21,24-25,28,36-37H,1-7,11-12,15-17H2,(H,33,35)(H2,29,30,31)/t21-,24-,25-,28-/m1/s1 YJLHORBHQMFHCH-VGSCBBJJSA-N 50565082 CHEMBL4786161 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565082&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162667013 461685420 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398676 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCSc2ccccc2)[C@@H](O)[C@H]1O InChI=1S/C27H38N6O7S2/c28-25-22-26(30-17-29-25)33(18-31-22)27-24(36)23(35)20(40-27)16-39-42(37,38)32-21(34)14-10-5-3-1-2-4-6-11-15-41-19-12-8-7-9-13-19/h7-9,12-13,17-18,20,23-24,27,35-36H,1-6,10-11,14-16H2,(H,32,34)(H2,28,29,30)/t20-,23-,24-,27-/m1/s1 LBWAYZOXJLZUNO-ZCIWVVNKSA-N 50565083 CHEMBL4783588 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase 41600 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565083 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565083&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162665542 461685421 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398677 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCNc2ccccc2)[C@@H](O)[C@H]1O InChI=1S/C27H39N7O7S/c28-25-22-26(31-17-30-25)34(18-32-22)27-24(37)23(36)20(41-27)16-40-42(38,39)33-21(35)14-10-5-3-1-2-4-6-11-15-29-19-12-8-7-9-13-19/h7-9,12-13,17-18,20,23-24,27,29,36-37H,1-6,10-11,14-16H2,(H,33,35)(H2,28,30,31)/t20-,23-,24-,27-/m1/s1 WJBZSIDEJTZCLE-ZCIWVVNKSA-N 50565084 CHEMBL4791695 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase 63400 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565084 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565084&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162670828 461685422 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398678 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccc(F)cc2)[C@@H](O)[C@H]1O InChI=1S/C27H37FN6O8S/c28-18-10-12-19(13-11-18)40-14-8-6-4-2-1-3-5-7-9-21(35)33-43(38,39)41-15-20-23(36)24(37)27(42-20)34-17-32-22-25(29)30-16-31-26(22)34/h10-13,16-17,20,23-24,27,36-37H,1-9,14-15H2,(H,33,35)(H2,29,30,31)/t20-,23-,24-,27-/m1/s1 VLYLHBWGTORCPJ-ZCIWVVNKSA-N 50565085 CHEMBL4795814 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase 11400 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565085 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565085&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162672429 461685423 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398679 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2cccc(F)c2)[C@@H](O)[C@H]1O InChI=1S/C27H37FN6O8S/c28-18-10-9-11-19(14-18)40-13-8-6-4-2-1-3-5-7-12-21(35)33-43(38,39)41-15-20-23(36)24(37)27(42-20)34-17-32-22-25(29)30-16-31-26(22)34/h9-11,14,16-17,20,23-24,27,36-37H,1-8,12-13,15H2,(H,33,35)(H2,29,30,31)/t20-,23-,24-,27-/m1/s1 XDTXREIPCZORLK-ZCIWVVNKSA-N 50565086 CHEMBL4793079 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase 7300 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565086 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565086&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162670888 461685424 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398680 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2F)[C@@H](O)[C@H]1O InChI=1S/C27H37FN6O8S/c28-18-11-8-9-12-19(18)40-14-10-6-4-2-1-3-5-7-13-21(35)33-43(38,39)41-15-20-23(36)24(37)27(42-20)34-17-32-22-25(29)30-16-31-26(22)34/h8-9,11-12,16-17,20,23-24,27,36-37H,1-7,10,13-15H2,(H,33,35)(H2,29,30,31)/t20-,23-,24-,27-/m1/s1 XDEAFXITXQUMNN-ZCIWVVNKSA-N 50565087 CHEMBL4796346 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565087 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565087&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162676045 461685425 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398681 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccc(Cl)cc2)[C@@H](O)[C@H]1O InChI=1S/C27H37ClN6O8S/c28-18-10-12-19(13-11-18)40-14-8-6-4-2-1-3-5-7-9-21(35)33-43(38,39)41-15-20-23(36)24(37)27(42-20)34-17-32-22-25(29)30-16-31-26(22)34/h10-13,16-17,20,23-24,27,36-37H,1-9,14-15H2,(H,33,35)(H2,29,30,31)/t20-,23-,24-,27-/m1/s1 JBDRSBHLCJIJDR-ZCIWVVNKSA-N 50565088 CHEMBL4788163 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase 13700 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565088 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565088&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162669647 461685426 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398682 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2cccc(Cl)c2)[C@@H](O)[C@H]1O InChI=1S/C27H37ClN6O8S/c28-18-10-9-11-19(14-18)40-13-8-6-4-2-1-3-5-7-12-21(35)33-43(38,39)41-15-20-23(36)24(37)27(42-20)34-17-32-22-25(29)30-16-31-26(22)34/h9-11,14,16-17,20,23-24,27,36-37H,1-8,12-13,15H2,(H,33,35)(H2,29,30,31)/t20-,23-,24-,27-/m1/s1 HCNVNKQSYOYDSV-ZCIWVVNKSA-N 50565089 CHEMBL4778102 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase 26400 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565089 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565089&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162644002 461685427 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398683 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2Cl)[C@@H](O)[C@H]1O InChI=1S/C27H37ClN6O8S/c28-18-11-8-9-12-19(18)40-14-10-6-4-2-1-3-5-7-13-21(35)33-43(38,39)41-15-20-23(36)24(37)27(42-20)34-17-32-22-25(29)30-16-31-26(22)34/h8-9,11-12,16-17,20,23-24,27,36-37H,1-7,10,13-15H2,(H,33,35)(H2,29,30,31)/t20-,23-,24-,27-/m1/s1 GXCWWPOLTDQUHI-ZCIWVVNKSA-N 50565090 CHEMBL4794608 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565090 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565090&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162672377 461685428 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398684 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccc(Br)cc2)[C@@H](O)[C@H]1O InChI=1S/C27H37BrN6O8S/c28-18-10-12-19(13-11-18)40-14-8-6-4-2-1-3-5-7-9-21(35)33-43(38,39)41-15-20-23(36)24(37)27(42-20)34-17-32-22-25(29)30-16-31-26(22)34/h10-13,16-17,20,23-24,27,36-37H,1-9,14-15H2,(H,33,35)(H2,29,30,31)/t20-,23-,24-,27-/m1/s1 RXNXMFZPCYXLFZ-ZCIWVVNKSA-N 50565091 CHEMBL4786635 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase 10400 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565091 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565091&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162667438 461685429 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398685 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccc(cc2)C(F)(F)F)[C@@H](O)[C@H]1O InChI=1S/C28H37F3N6O8S/c29-28(30,31)18-10-12-19(13-11-18)43-14-8-6-4-2-1-3-5-7-9-21(38)36-46(41,42)44-15-20-23(39)24(40)27(45-20)37-17-35-22-25(32)33-16-34-26(22)37/h10-13,16-17,20,23-24,27,39-40H,1-9,14-15H2,(H,36,38)(H2,32,33,34)/t20-,23-,24-,27-/m1/s1 ITLAXNPMKHSQIH-ZCIWVVNKSA-N 50565092 CHEMBL4796355 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase 34400 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565092 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565092&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162676051 461685430 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398686 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2cccc(c2)C(F)(F)F)[C@@H](O)[C@H]1O InChI=1S/C28H37F3N6O8S/c29-28(30,31)18-10-9-11-19(14-18)43-13-8-6-4-2-1-3-5-7-12-21(38)36-46(41,42)44-15-20-23(39)24(40)27(45-20)37-17-35-22-25(32)33-16-34-26(22)37/h9-11,14,16-17,20,23-24,27,39-40H,1-8,12-13,15H2,(H,36,38)(H2,32,33,34)/t20-,23-,24-,27-/m1/s1 WVULGWJUTRHNDF-ZCIWVVNKSA-N 50565093 CHEMBL4785012 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase 13500 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565093 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565093&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162666268 461685431 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398687 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2C(F)(F)F)[C@@H](O)[C@H]1O InChI=1S/C28H37F3N6O8S/c29-28(30,31)18-11-8-9-12-19(18)43-14-10-6-4-2-1-3-5-7-13-21(38)36-46(41,42)44-15-20-23(39)24(40)27(45-20)37-17-35-22-25(32)33-16-34-26(22)37/h8-9,11-12,16-17,20,23-24,27,39-40H,1-7,10,13-15H2,(H,36,38)(H2,32,33,34)/t20-,23-,24-,27-/m1/s1 QYCMIBWWMYOXIF-ZCIWVVNKSA-N 50565094 CHEMBL4793140 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase 28500 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565094 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565094&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162671598 461685432 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398688 COc1ccc(OCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1 InChI=1S/C28H40N6O9S/c1-40-19-11-13-20(14-12-19)41-15-9-7-5-3-2-4-6-8-10-22(35)33-44(38,39)42-16-21-24(36)25(37)28(43-21)34-18-32-23-26(29)30-17-31-27(23)34/h11-14,17-18,21,24-25,28,36-37H,2-10,15-16H2,1H3,(H,33,35)(H2,29,30,31)/t21-,24-,25-,28-/m1/s1 XIECWMOPTHOIKC-VGSCBBJJSA-N 50565095 CHEMBL4792395 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565095 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565095&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162671572 461685433 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398689 COc1cccc(OCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)c1 InChI=1S/C28H40N6O9S/c1-40-19-11-10-12-20(15-19)41-14-9-7-5-3-2-4-6-8-13-22(35)33-44(38,39)42-16-21-24(36)25(37)28(43-21)34-18-32-23-26(29)30-17-31-27(23)34/h10-12,15,17-18,21,24-25,28,36-37H,2-9,13-14,16H2,1H3,(H,33,35)(H2,29,30,31)/t21-,24-,25-,28-/m1/s1 LVNJYSYTYJKGOS-VGSCBBJJSA-N 50565096 CHEMBL4783091 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565096 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565096&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162664718 461685434 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398690 CCN(CC)CC.COc1ccccc1OCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 InChI=1S/C28H40N6O9S.C6H15N/c1-40-19-12-9-10-13-20(19)41-15-11-7-5-3-2-4-6-8-14-22(35)33-44(38,39)42-16-21-24(36)25(37)28(43-21)34-18-32-23-26(29)30-17-31-27(23)34;1-4-7(5-2)6-3/h9-10,12-13,17-18,21,24-25,28,36-37H,2-8,11,14-16H2,1H3,(H,33,35)(H2,29,30,31);4-6H2,1-3H3/t21-,24-,25-,28-;/m1./s1 TXXSGRCCGNNMJW-YZJAJFNUSA-N 50565097 CHEMBL4796612 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565097 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565097&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162676324 461685435 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398691 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2cccc3ccccc23)[C@@H](O)[C@H]1O InChI=1S/C31H40N6O8S/c32-29-26-30(34-19-33-29)37(20-35-26)31-28(40)27(39)24(45-31)18-44-46(41,42)36-25(38)16-7-5-3-1-2-4-6-10-17-43-23-15-11-13-21-12-8-9-14-22(21)23/h8-9,11-15,19-20,24,27-28,31,39-40H,1-7,10,16-18H2,(H,36,38)(H2,32,33,34)/t24-,27-,28-,31-/m1/s1 WSSQXMUCGGCMPJ-GUYMFIDCSA-N 50565098 CHEMBL4785579 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase 9640 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565098 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565098&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162667744 461685436 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398692 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccc3ccccc3c2)[C@@H](O)[C@H]1O InChI=1S/C31H40N6O8S/c32-29-26-30(34-19-33-29)37(20-35-26)31-28(40)27(39)24(45-31)18-44-46(41,42)36-25(38)13-7-5-3-1-2-4-6-10-16-43-23-15-14-21-11-8-9-12-22(21)17-23/h8-9,11-12,14-15,17,19-20,24,27-28,31,39-40H,1-7,10,13,16,18H2,(H,36,38)(H2,32,33,34)/t24-,27-,28-,31-/m1/s1 BQWKJZHXZDIJPZ-GUYMFIDCSA-N 50565099 CHEMBL4788041 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase 20390 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565099 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565099&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162668725 461685437 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398693 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2)[C@@H](O)[C@H]1O InChI=1S/C27H39N7O7S/c28-25-22-26(30-17-29-25)34(18-31-22)27-24(37)23(36)20(41-27)16-32-42(38,39)33-21(35)14-10-5-3-1-2-4-6-11-15-40-19-12-8-7-9-13-19/h7-9,12-13,17-18,20,23-24,27,32,36-37H,1-6,10-11,14-16H2,(H,33,35)(H2,28,29,30)/t20-,23-,24-,27-/m1/s1 GHLFYYDVYKDRRN-ZCIWVVNKSA-N 50565100 CHEMBL4779275 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565100 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565100&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162662491 461685438 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398694 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NCCCCCCCCCCCOc2ccccc2)[C@@H](O)[C@H]1O InChI=1S/C27H40N6O7S/c28-25-22-26(30-18-29-25)33(19-31-22)27-24(35)23(34)21(40-27)17-39-41(36,37)32-15-11-6-4-2-1-3-5-7-12-16-38-20-13-9-8-10-14-20/h8-10,13-14,18-19,21,23-24,27,32,34-35H,1-7,11-12,15-17H2,(H2,28,29,30)/t21-,23-,24-,27-/m1/s1 DOWWLAIXNKDBSW-VBHAUSMQSA-N 50565101 CHEMBL4794644 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565101 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565101&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162672877 461685439 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8 51398695 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)OCCCCCCCCCCCOc2ccccc2)[C@@H](O)[C@H]1O InChI=1S/C27H40N6O7S/c28-25-22-26(30-18-29-25)33(19-31-22)27-24(35)23(34)21(40-27)17-32-41(36,37)39-16-12-7-5-3-1-2-4-6-11-15-38-20-13-9-8-10-14-20/h8-10,13-14,18-19,21,23-24,27,32,34-35H,1-7,11-12,15-17H2,(H2,28,29,30)/t21-,23-,24-,27-/m1/s1 NRIWJDFGJAEJRF-VBHAUSMQSA-N 50565102 CHEMBL4794513 Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase >100000 ChEMBL 10.1016/j.ejmech.2020.112408 10.7270/Q2Z60SS6 32574901 Baran, M; Grimes, KD; Sibbald, PA; Fu, P; Boshoff, HIM; Wilson, DJ; Aldrich, CC University of Minnesota http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50565102 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50001016&target=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50565102&enzyme=Medium%2Flong-chain-fatty-acid--CoA%2F3-oxocholest-4-en-26-oate--CoA+ligase&column=ki&startPg=0&Increment=50&submit=Search 162673184 461685440 1 MAVALNIADLAEHAIDAVPDRVAVICGDEQLTYAQLEDKANRLAHHLIDQGVQKDDKVGLYCRNRIEIVIAMLGIVKAGAILVNVNFRYVEGELRYLFDNSDMVALVHERRYADRVANVLPDTPHVRTILVVEDGSDQDYRRYGGVEFYSAIAAGSPERDFGERSADAIYLLYTGGTTGFPKGVMWRHEDIYRVLFGGTDFATGEFVKDEYDLAKAAAANPPMIRYPIPPMIHGATQSATWMALFSGQTTVLAPEFNADEVWRTIHKHKVNLLFFTGDAMARPLVDALVKGNDYDLSSLFLLASTAALFSPSIKEKLLELLPNRVITDSIGSSETGFGGTSVVAAGQAHGGGPRVRIDHRTVVLDDDGNEVKPGSGMRGVIAKKGNIPVGYYKDEKKTAETFRTINGVRYAIPGDYAQVEEDGTVTMLGRGSVSINSGGEKVYPEEVEAALKGHPDVFDALVVGVPDPRYGQQVAAVVQARPGCRPSLAELDSFVRSEIAGYKVPRSLWFVDEVKRSPAGKPDYRWAKEQTEARPADDVHAGHVTSGG Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase FAC19_MYCTU P9WQ51 L0TEC7 Q6MWW5 Q7D5D8