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 50424253 Cc1oc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)(=O)=O InChI=1S/C26H24ClN5O5S/c1-14-18(11-21(37-14)38(3,35)36)23-22-24(31(12-15-4-5-15)26(34)30(2)25(22)33)29-32(23)13-16-8-9-28-20-7-6-17(27)10-19(16)20/h6-11,15H,4-5,12-13H2,1-3H3 FPPJYOIKKDWUOJ-UHFFFAOYSA-N 50261912 2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-3-(2-methyl-5-(methylsulfonyl)furan-3-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione::CHEMBL469008 Glutamate racemase Helicobacter pylori 51 ChEMBL 10.1016/j.bmcl.2008.06.092 10.7270/Q2N29WSP 18640833 Basarab, GS; Hill, PJ; Rastagar, A; Webborn, PJ AstraZeneca R&D Boston http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50261912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004169&target=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50261912&enzyme=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search 44577706 104110739 CHEMBL469008 ZINC44416762 1 MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL Glutamate racemase MURI_HELPY P56068 P94841 50424254 Cn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3oc(cc3Cl)S(C)(=O)=O)c2c1=O InChI=1S/C25H21Cl2N5O5S/c1-30-24(33)20-21(22-17(27)10-19(37-22)38(2,35)36)32(29-23(20)31(25(30)34)11-13-3-4-13)12-14-7-8-28-18-6-5-15(26)9-16(14)18/h5-10,13H,3-4,11-12H2,1-2H3 GBLUNAZCSSKSEV-UHFFFAOYSA-N 50261911 3-(3-chloro-5-(methylsulfonyl)furan-2-yl)-2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione::CHEMBL469007 Glutamate racemase Helicobacter pylori 59 ChEMBL 10.1016/j.bmcl.2008.06.092 10.7270/Q2N29WSP 18640833 Basarab, GS; Hill, PJ; Rastagar, A; Webborn, PJ AstraZeneca R&D Boston http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50261911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004169&target=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50261911&enzyme=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search 44577705 104110738 CHEMBL469007 ZINC44416759 1 MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL Glutamate racemase MURI_HELPY P56068 P94841 50424255 Cn1c(=O)n(CC2CC2)c2nn(Cc3ccnc4ccc(Cl)cc34)c(-c3ccc(o3)S(C)(=O)=O)c2c1=O InChI=1S/C25H22ClN5O5S/c1-29-24(32)21-22(19-7-8-20(36-19)37(2,34)35)31(28-23(21)30(25(29)33)12-14-3-4-14)13-15-9-10-27-18-6-5-16(26)11-17(15)18/h5-11,14H,3-4,12-13H2,1-2H3 OOMGQPYWFVFEKS-UHFFFAOYSA-N 50261801 2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-3-(5-(methylsulfonyl)furan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione::CHEMBL513533 Glutamate racemase Helicobacter pylori 1500 ChEMBL 10.1016/j.bmcl.2008.06.092 10.7270/Q2N29WSP 18640833 Basarab, GS; Hill, PJ; Rastagar, A; Webborn, PJ AstraZeneca R&D Boston http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50261801 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004169&target=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50261801&enzyme=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search 44577611 104110671 CHEMBL513533 ZINC42852157 1 MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL Glutamate racemase MURI_HELPY P56068 P94841 50424256 CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c(=O)n(C)c1=O InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3 NNZDBCPMOOEFTE-UHFFFAOYSA-N 50215444 5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETHYL)-3-PYRIDIN-4-YL-2H-PYRAZOLO[3,4-D]PYRIMIDINE-4,6(5H,7H)-DIONE::7-isobutyl-5-methyl-2-(1-naphthylmethyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine-4,6-(5H,7H)-dione::7-isobutyl-5-methyl-2-(naphthalen-1-ylmethyl)-3-(pyridin-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione::CHEMBL401874 Glutamate racemase Helicobacter pylori 1400 ChEMBL 10.1016/j.bmcl.2008.06.092 10.7270/Q2N29WSP 18640833 Basarab, GS; Hill, PJ; Rastagar, A; Webborn, PJ AstraZeneca R&D Boston http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50215444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004169&target=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50215444&enzyme=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search 003 2JFZ 16069302 104090059 39506 CHEMBL401874 ZINC29045993 1 MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL Glutamate racemase MURI_HELPY P56068 P94841 50424257 Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)C#N InChI=1S/C26H22ClN7O2/c1-31-12-16(11-28)9-21(31)23-22-24(33(13-15-3-4-15)26(36)32(2)25(22)35)30-34(23)14-17-7-8-29-20-6-5-18(27)10-19(17)20/h5-10,12,15H,3-4,13-14H2,1-2H3 CFJFLGFKZVSNPA-UHFFFAOYSA-N 50215445 5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-1-methyl-1H-pyrrole-3-carbonitrile::CHEMBL257600 Glutamate racemase Helicobacter pylori 26 ChEMBL 10.1016/j.bmcl.2008.06.092 10.7270/Q2N29WSP 18640833 Basarab, GS; Hill, PJ; Rastagar, A; Webborn, PJ AstraZeneca R&D Boston http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50215445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004169&target=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50215445&enzyme=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search 24884488 104090060 CHEMBL257600 ZINC53033378 1 MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL Glutamate racemase MURI_HELPY P56068 P94841 50424258 Cn1cc(cc1-c1n(Cc2cn(C)c3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)(=O)=O InChI=1S/C26H27ClN6O4S/c1-29-12-16(19-9-17(27)7-8-20(19)29)13-33-23(21-10-18(14-30(21)2)38(4,36)37)22-24(28-33)32(11-15-5-6-15)26(35)31(3)25(22)34/h7-10,12,14-15H,5-6,11,13H2,1-4H3 AWTRBCCCJSATFT-UHFFFAOYSA-N 50262163 2-((5-chloro-1-methyl-1H-indol-3-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-3-(1-methyl-4-(methylsulfonyl)-1H-pyrrol-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione::CHEMBL513872 Glutamate racemase Helicobacter pylori 33 ChEMBL 10.1016/j.bmcl.2008.06.092 10.7270/Q2N29WSP 18640833 Basarab, GS; Hill, PJ; Rastagar, A; Webborn, PJ AstraZeneca R&D Boston http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50262163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004169&target=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50262163&enzyme=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search 44577883 104110913 CHEMBL513872 ZINC55768021 1 MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL Glutamate racemase MURI_HELPY P56068 P94841 50424259 Cn1cc(cc1-c1n(Cc2c[nH]c3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)(=O)=O InChI=1S/C25H25ClN6O4S/c1-29-13-17(37(3,35)36)9-20(29)22-21-23(31(11-14-4-5-14)25(34)30(2)24(21)33)28-32(22)12-15-10-27-19-7-6-16(26)8-18(15)19/h6-10,13-14,27H,4-5,11-12H2,1-3H3 HTZVGKTYPBVWTE-UHFFFAOYSA-N 50262115 2-((5-chloro-1H-indol-3-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-3-(1-methyl-4-(methylsulfonyl)-1H-pyrrol-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione::CHEMBL469231 Glutamate racemase Helicobacter pylori 26 ChEMBL 10.1016/j.bmcl.2008.06.092 10.7270/Q2N29WSP 18640833 Basarab, GS; Hill, PJ; Rastagar, A; Webborn, PJ AstraZeneca R&D Boston http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50262115 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004169&target=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50262115&enzyme=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search 44577844 104110879 CHEMBL469231 ZINC53281658 1 MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL Glutamate racemase MURI_HELPY P56068 P94841 50424260 Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)(=O)=O InChI=1S/C26H25ClN6O4S/c1-30-14-18(38(3,36)37)11-21(30)23-22-24(32(12-15-4-5-15)26(35)31(2)25(22)34)29-33(23)13-16-8-9-28-20-7-6-17(27)10-19(16)20/h6-11,14-15H,4-5,12-13H2,1-3H3 OSQRJYUHXPRSRK-UHFFFAOYSA-N 50262114 2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-3-(1-methyl-4-(methylsulfonyl)-1H-pyrrol-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione::CHEMBL469230 Glutamate racemase Helicobacter pylori 34 ChEMBL 10.1016/j.bmcl.2008.06.092 10.7270/Q2N29WSP 18640833 Basarab, GS; Hill, PJ; Rastagar, A; Webborn, PJ AstraZeneca R&D Boston http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50262114 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004169&target=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50262114&enzyme=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search 44577843 104110878 CHEMBL469230 ZINC53281643 1 MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL Glutamate racemase MURI_HELPY P56068 P94841 50424261 Cn1cc(cc1-c1n(Cc2c[nH]c3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)=O InChI=1S/C25H25ClN6O3S/c1-29-13-17(36(3)35)9-20(29)22-21-23(31(11-14-4-5-14)25(34)30(2)24(21)33)28-32(22)12-15-10-27-19-7-6-16(26)8-18(15)19/h6-10,13-14,27H,4-5,11-12H2,1-3H3 ZPFIHEYGLZTEPN-UHFFFAOYSA-N 50262113 2-((5-chloro-1H-indol-3-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-3-(1-methyl-4-(methylsulfinyl)-1H-pyrrol-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione::CHEMBL469065 Glutamate racemase Helicobacter pylori 23 ChEMBL 10.1016/j.bmcl.2008.06.092 10.7270/Q2N29WSP 18640833 Basarab, GS; Hill, PJ; Rastagar, A; Webborn, PJ AstraZeneca R&D Boston http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50262113 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004169&target=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50262113&enzyme=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search 44577842 104110877 CHEMBL469065 ZINC53281839 1 MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL Glutamate racemase MURI_HELPY P56068 P94841 50424262 Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)=O InChI=1S/C26H25ClN6O3S/c1-30-14-18(37(3)36)11-21(30)23-22-24(32(12-15-4-5-15)26(35)31(2)25(22)34)29-33(23)13-16-8-9-28-20-7-6-17(27)10-19(16)20/h6-11,14-15H,4-5,12-13H2,1-3H3 CHULDGFSKLYERR-UHFFFAOYSA-N 50262061 2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-3-(1-methyl-4-(methylsulfinyl)-1H-pyrrol-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione::CHEMBL469219 Glutamate racemase Helicobacter pylori 37 ChEMBL 10.1016/j.bmcl.2008.06.092 10.7270/Q2N29WSP 18640833 Basarab, GS; Hill, PJ; Rastagar, A; Webborn, PJ AstraZeneca R&D Boston http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50262061 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004169&target=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50262061&enzyme=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search 25014731 104110845 CHEMBL469219 ZINC53281610 1 MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL Glutamate racemase MURI_HELPY P56068 P94841 50424263 Cn1cc(nc1-c1n(Cc2c[nH]c3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)(=O)=O InChI=1S/C24H24ClN7O4S/c1-29-12-18(37(3,35)36)27-22(29)20-19-21(31(10-13-4-5-13)24(34)30(2)23(19)33)28-32(20)11-14-9-26-17-7-6-15(25)8-16(14)17/h6-9,12-13,26H,4-5,10-11H2,1-3H3 LOWHJWMOXOSROT-UHFFFAOYSA-N 50262060 2-((5-chloro-1H-indol-3-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-3-(1-methyl-4-(methylsulfonyl)-1H-imidazol-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione::CHEMBL511736 Glutamate racemase Helicobacter pylori 31 ChEMBL 10.1016/j.bmcl.2008.06.092 10.7270/Q2N29WSP 18640833 Basarab, GS; Hill, PJ; Rastagar, A; Webborn, PJ AstraZeneca R&D Boston http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50262060 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004169&target=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50262060&enzyme=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search 44577799 104110844 CHEMBL511736 ZINC55760875 1 MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL Glutamate racemase MURI_HELPY P56068 P94841 50424264 Cn1cc(nc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)(=O)=O InChI=1S/C25H24ClN7O4S/c1-30-13-19(38(3,36)37)28-23(30)21-20-22(32(11-14-4-5-14)25(35)31(2)24(20)34)29-33(21)12-15-8-9-27-18-7-6-16(26)10-17(15)18/h6-10,13-14H,4-5,11-12H2,1-3H3 RJSRKFGJQVEDGE-UHFFFAOYSA-N 50262059 2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-3-(1-methyl-4-(methylsulfonyl)-1H-imidazol-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione::CHEMBL467148 Glutamate racemase Helicobacter pylori 160 ChEMBL 10.1016/j.bmcl.2008.06.092 10.7270/Q2N29WSP 18640833 Basarab, GS; Hill, PJ; Rastagar, A; Webborn, PJ AstraZeneca R&D Boston http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50262059 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004169&target=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50262059&enzyme=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search 44577798 104110843 CHEMBL467148 ZINC53277674 1 MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL Glutamate racemase MURI_HELPY P56068 P94841 50424265 CONS(=O)(=O)c1cc(-c2n(Cc3ccnc4ccc(Cl)cc34)nc3n(CC4CC4)c(=O)n(C)c(=O)c23)n(C)c1 InChI=1S/C26H26ClN7O5S/c1-31-14-18(40(37,38)30-39-3)11-21(31)23-22-24(33(12-15-4-5-15)26(36)32(2)25(22)35)29-34(23)13-16-8-9-28-20-7-6-17(27)10-19(16)20/h6-11,14-15,30H,4-5,12-13H2,1-3H3 XBLHUPJKCRIOMD-UHFFFAOYSA-N 50262013 5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-N-methoxy-1-methyl-1H-pyrrole-3-sulfonamide::CHEMBL468004 Glutamate racemase Helicobacter pylori 55 ChEMBL 10.1016/j.bmcl.2008.06.092 10.7270/Q2N29WSP 18640833 Basarab, GS; Hill, PJ; Rastagar, A; Webborn, PJ AstraZeneca R&D Boston http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50262013 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004169&target=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50262013&enzyme=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search 44577769 104110811 CHEMBL468004 ZINC53281631 1 MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL Glutamate racemase MURI_HELPY P56068 P94841 50424266 CONS(=O)(=O)c1cc(-c2n(Cc3c[nH]c4ccc(Cl)cc34)nc3n(CC4CC4)c(=O)n(C)c(=O)c23)n(C)c1 InChI=1S/C25H26ClN7O5S/c1-30-13-17(39(36,37)29-38-3)9-20(30)22-21-23(32(11-14-4-5-14)25(35)31(2)24(21)34)28-33(22)12-15-10-27-19-7-6-16(26)8-18(15)19/h6-10,13-14,27,29H,4-5,11-12H2,1-3H3 ORBCLAYMJSUZCM-UHFFFAOYSA-N 50262012 5-(2-((5-chloro-1H-indol-3-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-N-methoxy-1-methyl-1H-pyrrole-3-sulfonamide::CHEMBL468164 Glutamate racemase Helicobacter pylori 36 ChEMBL 10.1016/j.bmcl.2008.06.092 10.7270/Q2N29WSP 18640833 Basarab, GS; Hill, PJ; Rastagar, A; Webborn, PJ AstraZeneca R&D Boston http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50262012 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004169&target=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50262012&enzyme=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search 44577768 104110810 CHEMBL468164 ZINC53281689 1 MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL Glutamate racemase MURI_HELPY P56068 P94841 50424267 CNS(=O)(=O)c1cc(-c2n(Cc3c[nH]c4ccc(Cl)cc34)nc3n(CC4CC4)c(=O)n(C)c(=O)c23)n(C)c1 InChI=1S/C25H26ClN7O4S/c1-27-38(36,37)17-9-20(30(2)13-17)22-21-23(32(11-14-4-5-14)25(35)31(3)24(21)34)29-33(22)12-15-10-28-19-7-6-16(26)8-18(15)19/h6-10,13-14,27-28H,4-5,11-12H2,1-3H3 HMQHVCVVKIMOKG-UHFFFAOYSA-N 50262011 5-(2-((5-chloro-1H-indol-3-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-N,1-dimethyl-1H-pyrrole-3-sulfonamide::CHEMBL467999 Glutamate racemase Helicobacter pylori 27 ChEMBL 10.1016/j.bmcl.2008.06.092 10.7270/Q2N29WSP 18640833 Basarab, GS; Hill, PJ; Rastagar, A; Webborn, PJ AstraZeneca R&D Boston http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50262011 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004169&target=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50262011&enzyme=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search 44577767 104110809 CHEMBL467999 ZINC01491399 1 MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL Glutamate racemase MURI_HELPY P56068 P94841 50424268 CNS(=O)(=O)c1cc(-c2n(Cc3ccnc4ccc(Cl)cc34)nc3n(CC4CC4)c(=O)n(C)c(=O)c23)n(C)c1 InChI=1S/C26H26ClN7O4S/c1-28-39(37,38)18-11-21(31(2)14-18)23-22-24(33(12-15-4-5-15)26(36)32(3)25(22)35)30-34(23)13-16-8-9-29-20-7-6-17(27)10-19(16)20/h6-11,14-15,28H,4-5,12-13H2,1-3H3 FDOBHSVTEGSWMI-UHFFFAOYSA-N 50261966 5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-N,1-dimethyl-1H-pyrrole-3-sulfonamide::CHEMBL513864 Glutamate racemase Helicobacter pylori 44 ChEMBL 10.1016/j.bmcl.2008.06.092 10.7270/Q2N29WSP 18640833 Basarab, GS; Hill, PJ; Rastagar, A; Webborn, PJ AstraZeneca R&D Boston http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50261966 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004169&target=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50261966&enzyme=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search 44577746 104110779 CHEMBL513864 ZINC55760962 1 MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL Glutamate racemase MURI_HELPY P56068 P94841 50424269 Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(N)(=O)=O InChI=1S/C25H24ClN7O4S/c1-30-13-17(38(27,36)37)10-20(30)22-21-23(32(11-14-3-4-14)25(35)31(2)24(21)34)29-33(22)12-15-7-8-28-19-6-5-16(26)9-18(15)19/h5-10,13-14H,3-4,11-12H2,1-2H3,(H2,27,36,37) GJJZSYUMMMEVOO-UHFFFAOYSA-N 50261965 5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-1-methyl-1H-pyrrole-3-sulfonamide::CHEMBL511387 Glutamate racemase Helicobacter pylori 16 ChEMBL 10.1016/j.bmcl.2008.06.092 10.7270/Q2N29WSP 18640833 Basarab, GS; Hill, PJ; Rastagar, A; Webborn, PJ AstraZeneca R&D Boston http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50261965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004169&target=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50261965&enzyme=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search 44577745 104110778 CHEMBL511387 ZINC55760846 1 MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL Glutamate racemase MURI_HELPY P56068 P94841 50424270 Cn1cc(nc1-c1n(Cc2c[nH]c3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(N)(=O)=O InChI=1S/C23H23ClN8O4S/c1-29-11-17(37(25,35)36)27-21(29)19-18-20(31(9-12-3-4-12)23(34)30(2)22(18)33)28-32(19)10-13-8-26-16-6-5-14(24)7-15(13)16/h5-8,11-12,26H,3-4,9-10H2,1-2H3,(H2,25,35,36) IJDURAWPESRNLL-UHFFFAOYSA-N 50261964 2-(2-((5-chloro-1H-indol-3-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-1-methyl-1H-imidazole-4-sulfonamide::CHEMBL466771 Glutamate racemase Helicobacter pylori 38 ChEMBL 10.1016/j.bmcl.2008.06.092 10.7270/Q2N29WSP 18640833 Basarab, GS; Hill, PJ; Rastagar, A; Webborn, PJ AstraZeneca R&D Boston http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50261964 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004169&target=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50261964&enzyme=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search 44577744 104110777 CHEMBL466771 ZINC53277656 1 MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL Glutamate racemase MURI_HELPY P56068 P94841 50424271 Cc1oc(cc1-c1n(Cc2cn(C)c3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)S(C)(=O)=O InChI=1S/C26H26ClN5O5S/c1-14-18(10-21(37-14)38(4,35)36)23-22-24(31(11-15-5-6-15)26(34)30(3)25(22)33)28-32(23)13-16-12-29(2)20-8-7-17(27)9-19(16)20/h7-10,12,15H,5-6,11,13H2,1-4H3 XYLNYSDCPRJMBA-UHFFFAOYSA-N 50261913 2-((5-chloro-1-methyl-1H-indol-3-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-3-(2-methyl-5-(methylsulfonyl)furan-3-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione::CHEMBL467803 Glutamate racemase Helicobacter pylori 57 ChEMBL 10.1016/j.bmcl.2008.06.092 10.7270/Q2N29WSP 18640833 Basarab, GS; Hill, PJ; Rastagar, A; Webborn, PJ AstraZeneca R&D Boston http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50261913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004169&target=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50261913&enzyme=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search 44577707 104110740 CHEMBL467803 ZINC44406399 1 MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL Glutamate racemase MURI_HELPY P56068 P94841 50866281 CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c(=O)n(C)c1=O InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3 NNZDBCPMOOEFTE-UHFFFAOYSA-N 50215444 5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETHYL)-3-PYRIDIN-4-YL-2H-PYRAZOLO[3,4-D]PYRIMIDINE-4,6(5H,7H)-DIONE::7-isobutyl-5-methyl-2-(1-naphthylmethyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine-4,6-(5H,7H)-dione::7-isobutyl-5-methyl-2-(naphthalen-1-ylmethyl)-3-(pyridin-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione::CHEMBL401874 Glutamate racemase Helicobacter pylori 1400 ChEMBL 10.1038/nature05689 10.7270/Q2HX1DJ3 17568739 Lundqvist, T; Fisher, SL; Kern, G; Folmer, RH; Xue, Y; Newton, DT; Keating, TA; Alm, RA; de Jonge, BL AstraZeneca Global Structural Chemistry http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50215444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004169&target=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50215444&enzyme=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search 003 2JFZ 16069302 104090059 39506 CHEMBL401874 ZINC29045993 1 MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL Glutamate racemase MURI_HELPY P56068 P94841 50866282 CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c(=O)n(C)c1=O InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3 NNZDBCPMOOEFTE-UHFFFAOYSA-N 50215444 5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETHYL)-3-PYRIDIN-4-YL-2H-PYRAZOLO[3,4-D]PYRIMIDINE-4,6(5H,7H)-DIONE::7-isobutyl-5-methyl-2-(1-naphthylmethyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine-4,6-(5H,7H)-dione::7-isobutyl-5-methyl-2-(naphthalen-1-ylmethyl)-3-(pyridin-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione::CHEMBL401874 Glutamate racemase Helicobacter pylori 3900 ChEMBL 10.1038/nature05689 10.7270/Q2HX1DJ3 17568739 Lundqvist, T; Fisher, SL; Kern, G; Folmer, RH; Xue, Y; Newton, DT; Keating, TA; Alm, RA; de Jonge, BL AstraZeneca Global Structural Chemistry http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50215444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004169&target=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50215444&enzyme=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search 003 2JFZ 16069302 104090059 39506 CHEMBL401874 ZINC29045993 1 MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL Glutamate racemase MURI_HELPY P56068 P94841 50866284 Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)C#N InChI=1S/C26H22ClN7O2/c1-31-12-16(11-28)9-21(31)23-22-24(33(13-15-3-4-15)26(36)32(2)25(22)35)30-34(23)14-17-7-8-29-20-6-5-18(27)10-19(17)20/h5-10,12,15H,3-4,13-14H2,1-2H3 CFJFLGFKZVSNPA-UHFFFAOYSA-N 50215445 5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-1-methyl-1H-pyrrole-3-carbonitrile::CHEMBL257600 Glutamate racemase Helicobacter pylori 25 ChEMBL 10.1038/nature05689 10.7270/Q2HX1DJ3 17568739 Lundqvist, T; Fisher, SL; Kern, G; Folmer, RH; Xue, Y; Newton, DT; Keating, TA; Alm, RA; de Jonge, BL AstraZeneca Global Structural Chemistry http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50215445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004169&target=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50215445&enzyme=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search 24884488 104090060 CHEMBL257600 ZINC53033378 1 MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL Glutamate racemase MURI_HELPY P56068 P94841 50866286 N[C@H](CCC(O)=O)C(O)=O InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m1/s1 WHUUTDBJXJRKMK-GSVOUGTGSA-N 26431 (2R)-2-aminopentanedioic acid::CHEMBL76232::D-Glu::D-Glutamate::D-[14C]Glu Glutamate racemase Helicobacter pylori 5800 ChEMBL 10.1038/nature05689 10.7270/Q2HX1DJ3 17568739 Lundqvist, T; Fisher, SL; Kern, G; Folmer, RH; Xue, Y; Newton, DT; Keating, TA; Alm, RA; de Jonge, BL AstraZeneca Global Structural Chemistry http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=26431 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004169&target=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=26431&enzyme=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search DGL 3QV4,7RIH,7RIJ,3IWY,2JFZ,2JFX,2DWU,3TPX,6FBT,3R1Z,4BXE,6UDZ,4B1F,1QUR,2GZM,4GLS,4GLU,4GLN,4L8W,6TVJ,1CZQ,7FTC,7FTB,7FTA,7FTD,7FT2,7FT1,7FT0,7FT7,7FT5,7FT4,7FT9,3UHO,3H41,7Q4T,8BLU,5AA2,1ZUW,6KZF,6KZU,3L35,5CGO,5CGN,6CNU,3TRY,4CHX,3GO0,2R3C,6UF8,5GOD,3MGN,7RMS,3IJL,3OUT,4NZ6,3V1G,7RMQ,7RMR,1CWZ,1CW8,7FSJ,7FSK,7FSN,7FSO,7FSL,7FSM,7FSZ,7FSX,7FSY,7FSR,7FSS,7FSP,7FSV,7FSW,7FST,7FSU,6UD9,3TRV,5GDS,8F16,7KEM,3LNJ,6YFY,2KJU,7FSH,7FSI,7FSG,7FSQ,6BEN,6BER,6BEW,6BET,6JV7,4THN,1D0K,4OIJ,4OIK,5IJW,1CVQ,7AJZ,3TUR,3FHV,6S6Y,6G7N,2JUE,5E5T,5E5Y,8BFD,2KQL,7FT8,2J8F,2J8G,1C4B,6UCX,2Q33,5HJ7,1KR6,1MCK,7QGV,7QDI,2VVT,4K7T,7UJ5,8F15,8F14,8F10,8F13,8F12,5KX0,3KOB,5J8P,7FT3,7FT6,5JBV,5JBY,5X3O,5X3M,2JFO,2R5D,2R5B,7LL9,7LL8,6PSA,2Q3I,7KJN,5HHC,5HHD,3OEL,4TTM,4TTN,4TTO,5XDP,3UHF,2JFY,3UE7,5W16,3L36,3L37,6UF9,6UF7,6UFA,6UFU,5GO7,5GO8,5GOC,5GOB,5GOG,5GOI,5GOH,5GOK,5GOJ,2AIZ,5NE2,5XNI,6WYZ,2W4I,8EQI,5CTV,6FCS,6FCR,6FCU,7KJM,5XPK,6UG2,5W1Q,3TJW,2JFP,2JFQ,3IJI,3IJQ,5I1P,5I1S,5I1O,5I1N,5N8J,5N8T,5N8W 23327 56464868 18237 CHEMBL76232 DB02517 4708 C00302 ZINC00895124 1 MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL Glutamate racemase MURI_HELPY P56068 P94841 50866287 CC(C)Cn1c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c(=O)n(C)c1=O InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3 NNZDBCPMOOEFTE-UHFFFAOYSA-N 50215444 5-METHYL-7-(2-METHYLPROPYL)-2-(NAPHTHALEN-1-YLMETHYL)-3-PYRIDIN-4-YL-2H-PYRAZOLO[3,4-D]PYRIMIDINE-4,6(5H,7H)-DIONE::7-isobutyl-5-methyl-2-(1-naphthylmethyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-d]pyrimidine-4,6-(5H,7H)-dione::7-isobutyl-5-methyl-2-(naphthalen-1-ylmethyl)-3-(pyridin-4-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione::CHEMBL401874 Glutamate racemase Helicobacter pylori 2900 ChEMBL 10.1038/nature05689 10.7270/Q2HX1DJ3 17568739 Lundqvist, T; Fisher, SL; Kern, G; Folmer, RH; Xue, Y; Newton, DT; Keating, TA; Alm, RA; de Jonge, BL AstraZeneca Global Structural Chemistry http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50215444 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004169&target=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50215444&enzyme=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search 003 2JFZ 16069302 104090059 39506 CHEMBL401874 ZINC29045993 1 MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL Glutamate racemase MURI_HELPY P56068 P94841 50866288 Cn1cc(cc1-c1n(Cc2ccnc3ccc(Cl)cc23)nc2n(CC3CC3)c(=O)n(C)c(=O)c12)C#N InChI=1S/C26H22ClN7O2/c1-31-12-16(11-28)9-21(31)23-22-24(33(13-15-3-4-15)26(36)32(2)25(22)35)30-34(23)14-17-7-8-29-20-6-5-18(27)10-19(17)20/h5-10,12,15H,3-4,13-14H2,1-2H3 CFJFLGFKZVSNPA-UHFFFAOYSA-N 50215445 5-(2-((6-chloroquinolin-4-yl)methyl)-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl)-1-methyl-1H-pyrrole-3-carbonitrile::CHEMBL257600 Glutamate racemase Helicobacter pylori 25 ChEMBL 10.1038/nature05689 10.7270/Q2HX1DJ3 17568739 Lundqvist, T; Fisher, SL; Kern, G; Folmer, RH; Xue, Y; Newton, DT; Keating, TA; Alm, RA; de Jonge, BL AstraZeneca Global Structural Chemistry http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50215445 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004169&target=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50215445&enzyme=Glutamate+racemase&column=ki&startPg=0&Increment=50&submit=Search 24884488 104090060 CHEMBL257600 ZINC53033378 1 MKIGVFDSGVGGFSVLKSLLKAQLFDEIIYYGDSARVPYGTKDPTTIKQFGLEALDFFKPHQIKLLIVACNTASALALEEMQKHSKIPVVGVIEPSILAIKRQVKDKNAPILVLGTKATIQSNAYDNALKQQGYLNVSHLATSLFVPLIEESILEGELLETCMRYYFTPLEILPEVVILGCTHFPLIAQKIEGYFMEHFALSTPPLLIHSGDAIVEYLQQNYALKKNACAFPKVEFHASGDVVWLEKQAKEWLKL Glutamate racemase MURI_HELPY P56068 P94841