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 51038439 C\C(=N/NC(N)=N)c1sc(nc1C)-c1ccc(cc1)C#CC1CC1 InChI=1S/C18H19N5S/c1-11-16(12(2)22-23-18(19)20)24-17(21-11)15-9-7-14(8-10-15)6-5-13-3-4-13/h7-10,13H,3-4H2,1-2H3,(H4,19,20,23)/b22-12+ BYWNBAAYIRBHCX-WSDLNYQXSA-N 50458053 CHEMBL4214440 Undecaprenyl-diphosphatase 8100 ChEMBL 10.1016/j.ejmech.2018.02.031 10.7270/Q2RR21VD 29459278 Elsebaei, MM; Mohammad, H; Abouf, M; Abutaleb, NS; Hegazy, YA; Ghiaty, A; Chen, L; Zhang, J; Malwal, SR; Oldfield, E; Seleem, MN; Mayhoub, AS Al-Azhar University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458053 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007780&target=Undecaprenyl-diphosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458053&enzyme=Undecaprenyl-diphosphatase&column=ki&startPg=0&Increment=50&submit=Search 145971321 433925318 1 MSDMHSLLIAAILGVVEGLTEFLPVSSTGHMIIVGHLLGFEGDTAKTFEVVIQLGSILAVVVMFWRRLFGLIGIHFGRPLQHEGESKGRLTLIHILLGMIPAVVLGLLFHDTIKSLFNPINVMYALVVGGLLLIAAECLKPKEPRAPGLDDMTYRQAFMIGCFQCLALWPGFSRSGATISGGMLMGVSRYAASEFSFLLAVPMMMGATALDLYKSWGFLTSGDIPMFAVGFITAFVVALIAIKTFLQLIKRISFIPFAIYRFIVAAAVYVVFF 5OON,6CB2,6FMT,6FMV,6FMW Undecaprenyl-diphosphatase UPPP_ECOLI P60932 P31054 P39203 Q2M9E8 51038441 CC[C@H](C)[C@H](N)C1=N[C@@H](CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC1=O)[C@@H](C)CC InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)59(93)74-42(22-23-50(85)86)58(92)83-53(36(7)10-2)64(98)75-40-20-15-16-25-71-55(89)46(29-49(68)84)78-62(96)47(30-51(87)88)79-61(95)45(28-39-31-70-33-72-39)77-60(94)44(27-38-18-13-12-14-19-38)80-65(99)54(37(8)11-3)82-57(91)41(21-17-24-67)73-56(40)90/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,89)(H,73,90)(H,74,93)(H,75,98)(H,76,97)(H,77,94)(H,78,96)(H,79,95)(H,80,99)(H,82,91)(H,83,92)(H,85,86)(H,87,88)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48-,52-,53-,54-/m0/s1 CLKOFPXJLQSYAH-ABRJDSQDSA-N 50458054 Albac 50::Baci-Rx::Baciferm 50::Baciguent::Baciim::Bacitracin::CHEBI:35862::E700 Undecaprenyl-diphosphatase 5600 ChEMBL 10.1016/j.ejmech.2018.02.031 10.7270/Q2RR21VD 29459278 Elsebaei, MM; Mohammad, H; Abouf, M; Abutaleb, NS; Hegazy, YA; Ghiaty, A; Chen, L; Zhang, J; Malwal, SR; Oldfield, E; Seleem, MN; Mayhoub, AS Al-Azhar University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50458054 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007780&target=Undecaprenyl-diphosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50458054&enzyme=Undecaprenyl-diphosphatase&column=ki&startPg=0&Increment=50&submit=Search 10909430 433925319 1 MSDMHSLLIAAILGVVEGLTEFLPVSSTGHMIIVGHLLGFEGDTAKTFEVVIQLGSILAVVVMFWRRLFGLIGIHFGRPLQHEGESKGRLTLIHILLGMIPAVVLGLLFHDTIKSLFNPINVMYALVVGGLLLIAAECLKPKEPRAPGLDDMTYRQAFMIGCFQCLALWPGFSRSGATISGGMLMGVSRYAASEFSFLLAVPMMMGATALDLYKSWGFLTSGDIPMFAVGFITAFVVALIAIKTFLQLIKRISFIPFAIYRFIVAAAVYVVFF 5OON,6CB2,6FMT,6FMV,6FMW Undecaprenyl-diphosphatase UPPP_ECOLI P60932 P31054 P39203 Q2M9E8 51541897 CC(C)=CCC\C(C)=C\CNCCNC1C2CC3CC(C2)CC1C3 InChI=1S/C22H38N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-24H,4,6,8-15H2,1-3H3/b17-7+ JFIBVDBTCDTBRH-REZTVBANSA-N 50388398 CHEMBL561057::SQ-109 Undecaprenyl-diphosphatase Escherichia coli (strain K12) 32000 ChEMBL 10.1021/acs.jmedchem.3c00398 10.7270/Q2ZP4BHK 37235809 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50388398 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007780&target=Undecaprenyl-diphosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50388398&enzyme=Undecaprenyl-diphosphatase&column=ki&startPg=0&Increment=50&submit=Search 3RX 4EA1,6AJG 5274428 160867481 CHEMBL561057 DB05186 ZINC39959796 1 MSDMHSLLIAAILGVVEGLTEFLPVSSTGHMIIVGHLLGFEGDTAKTFEVVIQLGSILAVVVMFWRRLFGLIGIHFGRPLQHEGESKGRLTLIHILLGMIPAVVLGLLFHDTIKSLFNPINVMYALVVGGLLLIAAECLKPKEPRAPGLDDMTYRQAFMIGCFQCLALWPGFSRSGATISGGMLMGVSRYAASEFSFLLAVPMMMGATALDLYKSWGFLTSGDIPMFAVGFITAFVVALIAIKTFLQLIKRISFIPFAIYRFIVAAAVYVVFF 6CB2,6FMW,6FMV,6FMT,5OON Undecaprenyl-diphosphatase UPPP_ECOLI P60932 P31054 P39203 Q2M9E8 51541898 CC(C)=CCC\C(C)=C\C(C)(C)NCCNC1C2CC3CC(C2)CC1C3 InChI=1S/C24H42N2/c1-17(2)7-6-8-18(3)16-24(4,5)26-10-9-25-23-21-12-19-11-20(14-21)15-22(23)13-19/h7,16,19-23,25-26H,6,8-15H2,1-5H3/b18-16+ JANUHVZDGGWLEB-FBMGVBCBSA-N 50620288 CHEMBL5403488 Undecaprenyl-diphosphatase Escherichia coli (strain K12) 37000 ChEMBL 10.1021/acs.jmedchem.3c00398 10.7270/Q2ZP4BHK 37235809 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50620288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007780&target=Undecaprenyl-diphosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50620288&enzyme=Undecaprenyl-diphosphatase&column=ki&startPg=0&Increment=50&submit=Search 1 MSDMHSLLIAAILGVVEGLTEFLPVSSTGHMIIVGHLLGFEGDTAKTFEVVIQLGSILAVVVMFWRRLFGLIGIHFGRPLQHEGESKGRLTLIHILLGMIPAVVLGLLFHDTIKSLFNPINVMYALVVGGLLLIAAECLKPKEPRAPGLDDMTYRQAFMIGCFQCLALWPGFSRSGATISGGMLMGVSRYAASEFSFLLAVPMMMGATALDLYKSWGFLTSGDIPMFAVGFITAFVVALIAIKTFLQLIKRISFIPFAIYRFIVAAAVYVVFF 6CB2,6FMW,6FMV,6FMT,5OON Undecaprenyl-diphosphatase UPPP_ECOLI P60932 P31054 P39203 Q2M9E8 51541899 CC(C)=CCC\C(C)=C\CCNCCNC1C2CC3CC(C2)CC1C3 InChI=1S/C23H40N2/c1-17(2)6-4-7-18(3)8-5-9-24-10-11-25-23-21-13-19-12-20(15-21)16-22(23)14-19/h6,8,19-25H,4-5,7,9-16H2,1-3H3/b18-8+ BSJOZSZOMSCBFP-QGMBQPNBSA-N 50620289 CHEMBL5395162 Undecaprenyl-diphosphatase Escherichia coli (strain K12) 16000 ChEMBL 10.1021/acs.jmedchem.3c00398 10.7270/Q2ZP4BHK 37235809 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50620289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007780&target=Undecaprenyl-diphosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50620289&enzyme=Undecaprenyl-diphosphatase&column=ki&startPg=0&Increment=50&submit=Search 1 MSDMHSLLIAAILGVVEGLTEFLPVSSTGHMIIVGHLLGFEGDTAKTFEVVIQLGSILAVVVMFWRRLFGLIGIHFGRPLQHEGESKGRLTLIHILLGMIPAVVLGLLFHDTIKSLFNPINVMYALVVGGLLLIAAECLKPKEPRAPGLDDMTYRQAFMIGCFQCLALWPGFSRSGATISGGMLMGVSRYAASEFSFLLAVPMMMGATALDLYKSWGFLTSGDIPMFAVGFITAFVVALIAIKTFLQLIKRISFIPFAIYRFIVAAAVYVVFF 6CB2,6FMW,6FMV,6FMT,5OON Undecaprenyl-diphosphatase UPPP_ECOLI P60932 P31054 P39203 Q2M9E8 51541900 CC(C)=CCC\C(C)=C\CCNCCNC1C2CC3CC1CC(F)(C3)C2 InChI=1S/C23H39FN2/c1-17(2)6-4-7-18(3)8-5-9-25-10-11-26-22-20-12-19-13-21(22)16-23(24,14-19)15-20/h6,8,19-22,25-26H,4-5,7,9-16H2,1-3H3/b18-8+ MZBJWTFXNMFIAG-QGMBQPNBSA-N 50620290 CHEMBL5414003 Undecaprenyl-diphosphatase Escherichia coli (strain K12) 153000 ChEMBL 10.1021/acs.jmedchem.3c00398 10.7270/Q2ZP4BHK 37235809 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50620290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007780&target=Undecaprenyl-diphosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50620290&enzyme=Undecaprenyl-diphosphatase&column=ki&startPg=0&Increment=50&submit=Search 1 MSDMHSLLIAAILGVVEGLTEFLPVSSTGHMIIVGHLLGFEGDTAKTFEVVIQLGSILAVVVMFWRRLFGLIGIHFGRPLQHEGESKGRLTLIHILLGMIPAVVLGLLFHDTIKSLFNPINVMYALVVGGLLLIAAECLKPKEPRAPGLDDMTYRQAFMIGCFQCLALWPGFSRSGATISGGMLMGVSRYAASEFSFLLAVPMMMGATALDLYKSWGFLTSGDIPMFAVGFITAFVVALIAIKTFLQLIKRISFIPFAIYRFIVAAAVYVVFF 6CB2,6FMW,6FMV,6FMT,5OON Undecaprenyl-diphosphatase UPPP_ECOLI P60932 P31054 P39203 Q2M9E8 51541901 CCCCCCCCCCCNCCNC1C2CC3CC(C2)CC1C3 InChI=1S/C23H44N2/c1-2-3-4-5-6-7-8-9-10-11-24-12-13-25-23-21-15-19-14-20(17-21)18-22(23)16-19/h19-25H,2-18H2,1H3 ISSLLIUQXRMEIL-UHFFFAOYSA-N 50620291 CHEMBL5432995 Undecaprenyl-diphosphatase Escherichia coli (strain K12) 18000 ChEMBL 10.1021/acs.jmedchem.3c00398 10.7270/Q2ZP4BHK 37235809 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50620291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007780&target=Undecaprenyl-diphosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50620291&enzyme=Undecaprenyl-diphosphatase&column=ki&startPg=0&Increment=50&submit=Search 1 MSDMHSLLIAAILGVVEGLTEFLPVSSTGHMIIVGHLLGFEGDTAKTFEVVIQLGSILAVVVMFWRRLFGLIGIHFGRPLQHEGESKGRLTLIHILLGMIPAVVLGLLFHDTIKSLFNPINVMYALVVGGLLLIAAECLKPKEPRAPGLDDMTYRQAFMIGCFQCLALWPGFSRSGATISGGMLMGVSRYAASEFSFLLAVPMMMGATALDLYKSWGFLTSGDIPMFAVGFITAFVVALIAIKTFLQLIKRISFIPFAIYRFIVAAAVYVVFF 6CB2,6FMW,6FMV,6FMT,5OON Undecaprenyl-diphosphatase UPPP_ECOLI P60932 P31054 P39203 Q2M9E8 51541902 CC(C)CCCC(C)CCNCCNC1C2CC3CC(C2)CC1C3 InChI=1S/C22H42N2/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h16-24H,4-15H2,1-3H3 QGCOZRKJDNMJOE-UHFFFAOYSA-N 50620292 CHEMBL1087059 Undecaprenyl-diphosphatase Escherichia coli (strain K12) 15000 ChEMBL 10.1021/acs.jmedchem.3c00398 10.7270/Q2ZP4BHK 37235809 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50620292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007780&target=Undecaprenyl-diphosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50620292&enzyme=Undecaprenyl-diphosphatase&column=ki&startPg=0&Increment=50&submit=Search 1 MSDMHSLLIAAILGVVEGLTEFLPVSSTGHMIIVGHLLGFEGDTAKTFEVVIQLGSILAVVVMFWRRLFGLIGIHFGRPLQHEGESKGRLTLIHILLGMIPAVVLGLLFHDTIKSLFNPINVMYALVVGGLLLIAAECLKPKEPRAPGLDDMTYRQAFMIGCFQCLALWPGFSRSGATISGGMLMGVSRYAASEFSFLLAVPMMMGATALDLYKSWGFLTSGDIPMFAVGFITAFVVALIAIKTFLQLIKRISFIPFAIYRFIVAAAVYVVFF 6CB2,6FMW,6FMV,6FMT,5OON Undecaprenyl-diphosphatase UPPP_ECOLI P60932 P31054 P39203 Q2M9E8 51541903 CC(C)=CCC\C(C)=C\CNCCOC1C2CC3CC(C2)CC1C3 InChI=1S/C22H37NO/c1-16(2)5-4-6-17(3)7-8-23-9-10-24-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-23H,4,6,8-15H2,1-3H3/b17-7+ WQFPRNRSNLQWLT-REZTVBANSA-N 50011479 CHEMBL3261880 Undecaprenyl-diphosphatase Escherichia coli (strain K12) 21000 ChEMBL 10.1021/acs.jmedchem.3c00398 10.7270/Q2ZP4BHK 37235809 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007780&target=Undecaprenyl-diphosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011479&enzyme=Undecaprenyl-diphosphatase&column=ki&startPg=0&Increment=50&submit=Search 90655951 242057857 CHEMBL3261880 1 MSDMHSLLIAAILGVVEGLTEFLPVSSTGHMIIVGHLLGFEGDTAKTFEVVIQLGSILAVVVMFWRRLFGLIGIHFGRPLQHEGESKGRLTLIHILLGMIPAVVLGLLFHDTIKSLFNPINVMYALVVGGLLLIAAECLKPKEPRAPGLDDMTYRQAFMIGCFQCLALWPGFSRSGATISGGMLMGVSRYAASEFSFLLAVPMMMGATALDLYKSWGFLTSGDIPMFAVGFITAFVVALIAIKTFLQLIKRISFIPFAIYRFIVAAAVYVVFF 6CB2,6FMW,6FMV,6FMT,5OON Undecaprenyl-diphosphatase UPPP_ECOLI P60932 P31054 P39203 Q2M9E8 51541904 CC(C)=CCC\C(C)=C\COCCNC1C2CC3CC(C2)CC1C3 InChI=1S/C22H37NO/c1-16(2)5-4-6-17(3)7-9-24-10-8-23-22-20-12-18-11-19(14-20)15-21(22)13-18/h5,7,18-23H,4,6,8-15H2,1-3H3/b17-7+ FVZPGVBNMYKFPJ-REZTVBANSA-N 50011480 CHEMBL3261881 Undecaprenyl-diphosphatase Escherichia coli (strain K12) 91000 ChEMBL 10.1021/acs.jmedchem.3c00398 10.7270/Q2ZP4BHK 37235809 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50011480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007780&target=Undecaprenyl-diphosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50011480&enzyme=Undecaprenyl-diphosphatase&column=ki&startPg=0&Increment=50&submit=Search 90655952 242057858 CHEMBL3261881 1 MSDMHSLLIAAILGVVEGLTEFLPVSSTGHMIIVGHLLGFEGDTAKTFEVVIQLGSILAVVVMFWRRLFGLIGIHFGRPLQHEGESKGRLTLIHILLGMIPAVVLGLLFHDTIKSLFNPINVMYALVVGGLLLIAAECLKPKEPRAPGLDDMTYRQAFMIGCFQCLALWPGFSRSGATISGGMLMGVSRYAASEFSFLLAVPMMMGATALDLYKSWGFLTSGDIPMFAVGFITAFVVALIAIKTFLQLIKRISFIPFAIYRFIVAAAVYVVFF 6CB2,6FMW,6FMV,6FMT,5OON Undecaprenyl-diphosphatase UPPP_ECOLI P60932 P31054 P39203 Q2M9E8