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 51141100 O[C@H](CO[C@@H]1CN(C[C@H]1n1cnc2c(O)ncnc12)C(=O)CCP(O)(O)=O)P(O)(O)=O InChI=1S/C14H21N5O10P2/c20-10(1-2-30(23,24)25)18-3-8(9(4-18)29-5-11(21)31(26,27)28)19-7-17-12-13(19)15-6-16-14(12)22/h6-9,11,21H,1-5H2,(H,15,16,22)(H2,23,24,25)(H2,26,27,28)/t8-,9-,11+/m1/s1 XXJLQNZZPDHXLI-KKZNHRDASA-N 50467705 CHEMBL4282830 Hypoxanthine-guanine phosphoribosyltransferase 60 ChEMBL 10.1016/j.ejmech.2018.09.039 10.7270/Q2D22197 30265958 Eng, WS; Rejman, D; Pohl, R; West, NP; Woods, K; Naesens, LMJ; Keough, DT; Guddat, LW The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50467705 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007871&target=Hypoxanthine-guanine+phosphoribosyltransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50467705&enzyme=Hypoxanthine-guanine+phosphoribosyltransferase&column=ki&startPg=0&Increment=50&submit=Search 137206710 433934970 1 MHVTQSSSAITPGQTAELYPGDIKSVLLTAEQIQARIAELGEQIGNDYRELSATTGQDLLLITVLKGAVLFVTDLARAIPVPTQFEFMAVSSYGSSTSSSGVVRILKDLDRDIHGRDVLIVEDVVDSGLTLSWLSRNLTSRNPRSLRVCTLLRKPDAVHANVEIAYVGFDIPNDFVVGYGLDYDERYRDLSYIGTLDPRVYQ 4RHT,4RHU,4RHX,4RHY,5KNP,5KNQ,5KNY Hypoxanthine-guanine phosphoribosyltransferase HGPRT_MYCTU P9WHQ9 L0TER1 O06383 P0A5T0 P96906 51141101 Oc1ncnc2n(cnc12)[C@@H]1CNC[C@@H]1OCP(O)(O)=O InChI=1S/C10H14N5O5P/c16-10-8-9(12-3-13-10)15(4-14-8)6-1-11-2-7(6)20-5-21(17,18)19/h3-4,6-7,11H,1-2,5H2,(H,12,13,16)(H2,17,18,19)/t6-,7+/m1/s1 YFBRPISOXMPUHB-RQJHMYQMSA-N 50467706 CHEMBL4294529 Hypoxanthine-guanine phosphoribosyltransferase 88000 ChEMBL 10.1016/j.ejmech.2018.09.039 10.7270/Q2D22197 30265958 Eng, WS; Rejman, D; Pohl, R; West, NP; Woods, K; Naesens, LMJ; Keough, DT; Guddat, LW The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50467706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007871&target=Hypoxanthine-guanine+phosphoribosyltransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50467706&enzyme=Hypoxanthine-guanine+phosphoribosyltransferase&column=ki&startPg=0&Increment=50&submit=Search 135567198 433934971 1 MHVTQSSSAITPGQTAELYPGDIKSVLLTAEQIQARIAELGEQIGNDYRELSATTGQDLLLITVLKGAVLFVTDLARAIPVPTQFEFMAVSSYGSSTSSSGVVRILKDLDRDIHGRDVLIVEDVVDSGLTLSWLSRNLTSRNPRSLRVCTLLRKPDAVHANVEIAYVGFDIPNDFVVGYGLDYDERYRDLSYIGTLDPRVYQ 4RHT,4RHU,4RHX,4RHY,5KNP,5KNQ,5KNY Hypoxanthine-guanine phosphoribosyltransferase HGPRT_MYCTU P9WHQ9 L0TER1 O06383 P0A5T0 P96906 51141102 Oc1ncnc2n(cnc12)[C@@H]1CNC[C@@H]1OCP(O)(O)=O InChI=1S/C10H14N5O5P/c16-10-8-9(12-3-13-10)15(4-14-8)6-1-11-2-7(6)20-5-21(17,18)19/h3-4,6-7,11H,1-2,5H2,(H,12,13,16)(H2,17,18,19)/t6-,7+/m1/s1 YFBRPISOXMPUHB-RQJHMYQMSA-N 50467706 CHEMBL4294529 Hypoxanthine-guanine phosphoribosyltransferase 3000 ChEMBL 10.1016/j.ejmech.2018.09.039 10.7270/Q2D22197 30265958 Eng, WS; Rejman, D; Pohl, R; West, NP; Woods, K; Naesens, LMJ; Keough, DT; Guddat, LW The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50467706 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007871&target=Hypoxanthine-guanine+phosphoribosyltransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50467706&enzyme=Hypoxanthine-guanine+phosphoribosyltransferase&column=ki&startPg=0&Increment=50&submit=Search 135567198 433934971 1 MHVTQSSSAITPGQTAELYPGDIKSVLLTAEQIQARIAELGEQIGNDYRELSATTGQDLLLITVLKGAVLFVTDLARAIPVPTQFEFMAVSSYGSSTSSSGVVRILKDLDRDIHGRDVLIVEDVVDSGLTLSWLSRNLTSRNPRSLRVCTLLRKPDAVHANVEIAYVGFDIPNDFVVGYGLDYDERYRDLSYIGTLDPRVYQ 4RHT,4RHU,4RHX,4RHY,5KNP,5KNQ,5KNY Hypoxanthine-guanine phosphoribosyltransferase HGPRT_MYCTU P9WHQ9 L0TER1 O06383 P0A5T0 P96906 51141104 Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1CN(C[C@H]1OC[C@H](O)P(O)(O)=O)C(=O)CCP(O)(O)=O InChI=1S/C14H22N6O10P2/c15-14-17-12-11(13(23)18-14)16-6-20(12)7-3-19(9(21)1-2-31(24,25)26)4-8(7)30-5-10(22)32(27,28)29/h6-8,10,22H,1-5H2,(H2,24,25,26)(H2,27,28,29)(H3,15,17,18,23)/t7-,8-,10-/m1/s1 RBYFDIJTTUISNF-NQMVMOMDSA-N 50467708 CHEMBL4277753 Hypoxanthine-guanine phosphoribosyltransferase 130 ChEMBL 10.1016/j.ejmech.2018.09.039 10.7270/Q2D22197 30265958 Eng, WS; Rejman, D; Pohl, R; West, NP; Woods, K; Naesens, LMJ; Keough, DT; Guddat, LW The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50467708 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007871&target=Hypoxanthine-guanine+phosphoribosyltransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50467708&enzyme=Hypoxanthine-guanine+phosphoribosyltransferase&column=ki&startPg=0&Increment=50&submit=Search WPG 6BNJ 135567406 433934973 1 MHVTQSSSAITPGQTAELYPGDIKSVLLTAEQIQARIAELGEQIGNDYRELSATTGQDLLLITVLKGAVLFVTDLARAIPVPTQFEFMAVSSYGSSTSSSGVVRILKDLDRDIHGRDVLIVEDVVDSGLTLSWLSRNLTSRNPRSLRVCTLLRKPDAVHANVEIAYVGFDIPNDFVVGYGLDYDERYRDLSYIGTLDPRVYQ 4RHT,4RHU,4RHX,4RHY,5KNP,5KNQ,5KNY Hypoxanthine-guanine phosphoribosyltransferase HGPRT_MYCTU P9WHQ9 L0TER1 O06383 P0A5T0 P96906 51141106 Oc1ncnc2n(cnc12)[C@@H]1CN(C[C@@H]1OCCP(O)(O)=O)C(=O)CCP(O)(O)=O InChI=1S/C14H21N5O9P2/c20-11(1-3-29(22,23)24)18-5-9(10(6-18)28-2-4-30(25,26)27)19-8-17-12-13(19)15-7-16-14(12)21/h7-10H,1-6H2,(H,15,16,21)(H2,22,23,24)(H2,25,26,27)/t9-,10+/m1/s1 OIFWNEDTTIIVSG-ZJUUUORDSA-N 50467709 CHEMBL4291117 Hypoxanthine-guanine phosphoribosyltransferase 420 ChEMBL 10.1016/j.ejmech.2018.09.039 10.7270/Q2D22197 30265958 Eng, WS; Rejman, D; Pohl, R; West, NP; Woods, K; Naesens, LMJ; Keough, DT; Guddat, LW The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50467709 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007871&target=Hypoxanthine-guanine+phosphoribosyltransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50467709&enzyme=Hypoxanthine-guanine+phosphoribosyltransferase&column=ki&startPg=0&Increment=50&submit=Search 137241022 433934974 1 MHVTQSSSAITPGQTAELYPGDIKSVLLTAEQIQARIAELGEQIGNDYRELSATTGQDLLLITVLKGAVLFVTDLARAIPVPTQFEFMAVSSYGSSTSSSGVVRILKDLDRDIHGRDVLIVEDVVDSGLTLSWLSRNLTSRNPRSLRVCTLLRKPDAVHANVEIAYVGFDIPNDFVVGYGLDYDERYRDLSYIGTLDPRVYQ 4RHT,4RHU,4RHX,4RHY,5KNP,5KNQ,5KNY Hypoxanthine-guanine phosphoribosyltransferase HGPRT_MYCTU P9WHQ9 L0TER1 O06383 P0A5T0 P96906 51141108 Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1CN(C[C@H]1OC[C@@H](O)P(O)(O)=O)C(=O)CCP(O)(O)=O InChI=1S/C14H22N6O10P2/c15-14-17-12-11(13(23)18-14)16-6-20(12)7-3-19(9(21)1-2-31(24,25)26)4-8(7)30-5-10(22)32(27,28)29/h6-8,10,22H,1-5H2,(H2,24,25,26)(H2,27,28,29)(H3,15,17,18,23)/t7-,8-,10+/m1/s1 RBYFDIJTTUISNF-MRTMQBJTSA-N 50467710 CHEMBL4290716 Hypoxanthine-guanine phosphoribosyltransferase 60 ChEMBL 10.1016/j.ejmech.2018.09.039 10.7270/Q2D22197 30265958 Eng, WS; Rejman, D; Pohl, R; West, NP; Woods, K; Naesens, LMJ; Keough, DT; Guddat, LW The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50467710 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007871&target=Hypoxanthine-guanine+phosphoribosyltransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50467710&enzyme=Hypoxanthine-guanine+phosphoribosyltransferase&column=ki&startPg=0&Increment=50&submit=Search YPG 5HIA,6BO7,5KNY 135567138 433934975 1 MHVTQSSSAITPGQTAELYPGDIKSVLLTAEQIQARIAELGEQIGNDYRELSATTGQDLLLITVLKGAVLFVTDLARAIPVPTQFEFMAVSSYGSSTSSSGVVRILKDLDRDIHGRDVLIVEDVVDSGLTLSWLSRNLTSRNPRSLRVCTLLRKPDAVHANVEIAYVGFDIPNDFVVGYGLDYDERYRDLSYIGTLDPRVYQ 4RHT,4RHU,4RHX,4RHY,5KNP,5KNQ,5KNY Hypoxanthine-guanine phosphoribosyltransferase HGPRT_MYCTU P9WHQ9 L0TER1 O06383 P0A5T0 P96906 51141109 Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1CN(C[C@@H]1OCCP(O)(O)=O)C(=O)CCP(O)(O)=O InChI=1S/C14H22N6O9P2/c15-14-17-12-11(13(22)18-14)16-7-20(12)8-5-19(10(21)1-3-30(23,24)25)6-9(8)29-2-4-31(26,27)28/h7-9H,1-6H2,(H2,23,24,25)(H2,26,27,28)(H3,15,17,18,22)/t8-,9+/m1/s1 UXUBOXDZEZSEOB-BDAKNGLRSA-N 50467707 CHEMBL4280490 Hypoxanthine-guanine phosphoribosyltransferase 40 ChEMBL 10.1016/j.ejmech.2018.09.039 10.7270/Q2D22197 30265958 Eng, WS; Rejman, D; Pohl, R; West, NP; Woods, K; Naesens, LMJ; Keough, DT; Guddat, LW The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50467707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007871&target=Hypoxanthine-guanine+phosphoribosyltransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50467707&enzyme=Hypoxanthine-guanine+phosphoribosyltransferase&column=ki&startPg=0&Increment=50&submit=Search 137206702 433934972 1 MHVTQSSSAITPGQTAELYPGDIKSVLLTAEQIQARIAELGEQIGNDYRELSATTGQDLLLITVLKGAVLFVTDLARAIPVPTQFEFMAVSSYGSSTSSSGVVRILKDLDRDIHGRDVLIVEDVVDSGLTLSWLSRNLTSRNPRSLRVCTLLRKPDAVHANVEIAYVGFDIPNDFVVGYGLDYDERYRDLSYIGTLDPRVYQ 4RHT,4RHU,4RHX,4RHY,5KNP,5KNQ,5KNY Hypoxanthine-guanine phosphoribosyltransferase HGPRT_MYCTU P9WHQ9 L0TER1 O06383 P0A5T0 P96906 51141110 Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1CNC[C@@H]1OCP(O)(O)=O InChI=1S/C10H15N6O5P/c11-10-14-8-7(9(17)15-10)13-3-16(8)5-1-12-2-6(5)21-4-22(18,19)20/h3,5-6,12H,1-2,4H2,(H2,18,19,20)(H3,11,14,15,17)/t5-,6+/m1/s1 LMOOKHOOULQCAZ-RITPCOANSA-N 50467711 CHEMBL4283940 Hypoxanthine-guanine phosphoribosyltransferase 8000 ChEMBL 10.1016/j.ejmech.2018.09.039 10.7270/Q2D22197 30265958 Eng, WS; Rejman, D; Pohl, R; West, NP; Woods, K; Naesens, LMJ; Keough, DT; Guddat, LW The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50467711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007871&target=Hypoxanthine-guanine+phosphoribosyltransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50467711&enzyme=Hypoxanthine-guanine+phosphoribosyltransferase&column=ki&startPg=0&Increment=50&submit=Search 6W8 5KNQ 135567199 433934976 1 MHVTQSSSAITPGQTAELYPGDIKSVLLTAEQIQARIAELGEQIGNDYRELSATTGQDLLLITVLKGAVLFVTDLARAIPVPTQFEFMAVSSYGSSTSSSGVVRILKDLDRDIHGRDVLIVEDVVDSGLTLSWLSRNLTSRNPRSLRVCTLLRKPDAVHANVEIAYVGFDIPNDFVVGYGLDYDERYRDLSYIGTLDPRVYQ 4RHT,4RHU,4RHX,4RHY,5KNP,5KNQ,5KNY Hypoxanthine-guanine phosphoribosyltransferase HGPRT_MYCTU P9WHQ9 L0TER1 O06383 P0A5T0 P96906 51141112 Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1CNC[C@@H]1OCP(O)(O)=O InChI=1S/C10H15N6O5P/c11-10-14-8-7(9(17)15-10)13-3-16(8)5-1-12-2-6(5)21-4-22(18,19)20/h3,5-6,12H,1-2,4H2,(H2,18,19,20)(H3,11,14,15,17)/t5-,6+/m1/s1 LMOOKHOOULQCAZ-RITPCOANSA-N 50467711 CHEMBL4283940 Hypoxanthine-guanine phosphoribosyltransferase 740 ChEMBL 10.1016/j.ejmech.2018.09.039 10.7270/Q2D22197 30265958 Eng, WS; Rejman, D; Pohl, R; West, NP; Woods, K; Naesens, LMJ; Keough, DT; Guddat, LW The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50467711 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007871&target=Hypoxanthine-guanine+phosphoribosyltransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50467711&enzyme=Hypoxanthine-guanine+phosphoribosyltransferase&column=ki&startPg=0&Increment=50&submit=Search 6W8 5KNQ 135567199 433934976 1 MHVTQSSSAITPGQTAELYPGDIKSVLLTAEQIQARIAELGEQIGNDYRELSATTGQDLLLITVLKGAVLFVTDLARAIPVPTQFEFMAVSSYGSSTSSSGVVRILKDLDRDIHGRDVLIVEDVVDSGLTLSWLSRNLTSRNPRSLRVCTLLRKPDAVHANVEIAYVGFDIPNDFVVGYGLDYDERYRDLSYIGTLDPRVYQ 4RHT,4RHU,4RHX,4RHY,5KNP,5KNQ,5KNY Hypoxanthine-guanine phosphoribosyltransferase HGPRT_MYCTU P9WHQ9 L0TER1 O06383 P0A5T0 P96906 51141115 O[C@@H](CO[C@@H]1CN(C[C@H]1n1cnc2c(O)ncnc12)C(=O)CCP(O)(O)=O)P(O)(O)=O InChI=1S/C14H21N5O10P2/c20-10(1-2-30(23,24)25)18-3-8(9(4-18)29-5-11(21)31(26,27)28)19-7-17-12-13(19)15-6-16-14(12)22/h6-9,11,21H,1-5H2,(H,15,16,22)(H2,23,24,25)(H2,26,27,28)/t8-,9-,11-/m1/s1 XXJLQNZZPDHXLI-FXPVBKGRSA-N 50467712 CHEMBL4285691 Hypoxanthine-guanine phosphoribosyltransferase 200 ChEMBL 10.1016/j.ejmech.2018.09.039 10.7270/Q2D22197 30265958 Eng, WS; Rejman, D; Pohl, R; West, NP; Woods, K; Naesens, LMJ; Keough, DT; Guddat, LW The University of Queensland http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50467712 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50007871&target=Hypoxanthine-guanine+phosphoribosyltransferase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50467712&enzyme=Hypoxanthine-guanine+phosphoribosyltransferase&column=ki&startPg=0&Increment=50&submit=Search 137206711 433934977 1 MHVTQSSSAITPGQTAELYPGDIKSVLLTAEQIQARIAELGEQIGNDYRELSATTGQDLLLITVLKGAVLFVTDLARAIPVPTQFEFMAVSSYGSSTSSSGVVRILKDLDRDIHGRDVLIVEDVVDSGLTLSWLSRNLTSRNPRSLRVCTLLRKPDAVHANVEIAYVGFDIPNDFVVGYGLDYDERYRDLSYIGTLDPRVYQ 4RHT,4RHU,4RHX,4RHY,5KNP,5KNQ,5KNY Hypoxanthine-guanine phosphoribosyltransferase HGPRT_MYCTU P9WHQ9 L0TER1 O06383 P0A5T0 P96906