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 430152 Cc1ccc(cc1)-c1nsc(=O)[nH]1 InChI=1S/C9H8N2OS/c1-6-2-4-7(5-3-6)8-10-9(12)13-11-8/h2-5H,1H3,(H,10,11,12) XXKKENPLAPXKFL-UHFFFAOYSA-N 246596 TIM inhibitor, 1 Triosephosphate isomerase 1.00e+5 7.4 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2013.765415 10.7270/Q27S7MPS 23406473 aid1803397 Alvarez, G; Martínez, J; Aguirre-López, B; Cabrera, N; Pérez-Díaz, L; de Gómez-Puyou, MT; Gómez-Puyou, A; Pérez-Montfort, R; Garat, B; Merlino, A; González, M; Cerecetto, H Universidad de la República http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=246596 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10782&target=Triosephosphate+isomerase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=246596&enzyme=Triosephosphate+isomerase&column=ki&startPg=0&Increment=50&submit=Search 73187903 341104383 1 MAEDGEEAEFHFAALYISGQWPRLRADTDLQRLGSSAMAPSRKFFVGGNWKMNGRKQSLGELIGTLNAAKVPADTEVVCAPPTAYIDFARQKLDPKIAVAAQNCYKVTNGAFTGEISPGMIKDCGATWVVLGHSERRHVFGESDELIGQKVAHALAEGLGVIACIGEKLDEREAGITEKVVFEQTKVIADNVKDWSKVVLAYEPVWAIGTGKTATPQQAQEVHEKLRGWLKSNVSDAVAQSTRIIYGGSVTGATCKELASQPDVDGFLVGGASLKPEFVDIINAKQ 1HTI,1SW3,1TIM,1WYI,2JK2,4BR1,4POC,6D43 Triosephosphate isomerase TPIS_HUMAN P60174 B7Z5D8 D3DUS9 P00938 Q6FHP9 Q6IS07 Q8WWD0 Q96AG5 430153 Oc1ccc2nc3cc(Cl)c(Cl)cc3nc2c1 InChI=1S/C12H6Cl2N2O/c13-7-4-11-12(5-8(7)14)16-10-3-6(17)1-2-9(10)15-11/h1-5,17H NXZKDNVKTNBSHL-UHFFFAOYSA-N 246597 TIM inhibitor, 2 Triosephosphate isomerase >1.00e+5 7.4 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2013.765415 10.7270/Q27S7MPS 23406473 aid1803397 Alvarez, G; Martínez, J; Aguirre-López, B; Cabrera, N; Pérez-Díaz, L; de Gómez-Puyou, MT; Gómez-Puyou, A; Pérez-Montfort, R; Garat, B; Merlino, A; González, M; Cerecetto, H Universidad de la República http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=246597 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10782&target=Triosephosphate+isomerase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=246597&enzyme=Triosephosphate+isomerase&column=ki&startPg=0&Increment=50&submit=Search 129627012 341104384 1 MAEDGEEAEFHFAALYISGQWPRLRADTDLQRLGSSAMAPSRKFFVGGNWKMNGRKQSLGELIGTLNAAKVPADTEVVCAPPTAYIDFARQKLDPKIAVAAQNCYKVTNGAFTGEISPGMIKDCGATWVVLGHSERRHVFGESDELIGQKVAHALAEGLGVIACIGEKLDEREAGITEKVVFEQTKVIADNVKDWSKVVLAYEPVWAIGTGKTATPQQAQEVHEKLRGWLKSNVSDAVAQSTRIIYGGSVTGATCKELASQPDVDGFLVGGASLKPEFVDIINAKQ 1HTI,1SW3,1TIM,1WYI,2JK2,4BR1,4POC,6D43 Triosephosphate isomerase TPIS_HUMAN P60174 B7Z5D8 D3DUS9 P00938 Q6FHP9 Q6IS07 Q8WWD0 Q96AG5 430154 [O-][N+](=O)c1ccc(C=C2C(=O)N(Cc3ccccc3)SN(Cc3ccccc3)C2=O)o1 InChI=1S/C22H17N3O5S/c26-21-19(13-18-11-12-20(30-18)25(28)29)22(27)24(15-17-9-5-2-6-10-17)31-23(21)14-16-7-3-1-4-8-16/h1-13H,14-15H2 ZLBSXQXHCUJVJO-UHFFFAOYSA-N 246598 TIM inhibitor, 3 Triosephosphate isomerase >1.00e+5 7.4 37.00 C Curated from the literature by BindingDB 10.3109/14756366.2013.765415 10.7270/Q27S7MPS 23406473 aid1803397 Alvarez, G; Martínez, J; Aguirre-López, B; Cabrera, N; Pérez-Díaz, L; de Gómez-Puyou, MT; Gómez-Puyou, A; Pérez-Montfort, R; Garat, B; Merlino, A; González, M; Cerecetto, H Universidad de la República http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=246598 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10782&target=Triosephosphate+isomerase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=246598&enzyme=Triosephosphate+isomerase&column=ki&startPg=0&Increment=50&submit=Search 129627013 341104385 1 MAEDGEEAEFHFAALYISGQWPRLRADTDLQRLGSSAMAPSRKFFVGGNWKMNGRKQSLGELIGTLNAAKVPADTEVVCAPPTAYIDFARQKLDPKIAVAAQNCYKVTNGAFTGEISPGMIKDCGATWVVLGHSERRHVFGESDELIGQKVAHALAEGLGVIACIGEKLDEREAGITEKVVFEQTKVIADNVKDWSKVVLAYEPVWAIGTGKTATPQQAQEVHEKLRGWLKSNVSDAVAQSTRIIYGGSVTGATCKELASQPDVDGFLVGGASLKPEFVDIINAKQ 1HTI,1SW3,1TIM,1WYI,2JK2,4BR1,4POC,6D43 Triosephosphate isomerase TPIS_HUMAN P60174 B7Z5D8 D3DUS9 P00938 Q6FHP9 Q6IS07 Q8WWD0 Q96AG5 50636597 ONC(=O)COP(O)(O)=O InChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8) BAXHHWZKQZIJID-UHFFFAOYSA-N 50167777 2-(hydroxyamino)-2-oxoethyl dihydrogen phosphate::CHEMBL371668::Phosphoglycolohydroxamic Acid Triosephosphate isomerase 4000 ChEMBL 10.1016/j.bmcl.2010.12.066 10.7270/Q20C4W2K 21236668 Yep, A; Sorenson, RJ; Wilson, MR; Showalter, HD; Larsen, SD; Keller, PR; Woodard, RW University of Michigan http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50167777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10782&target=Triosephosphate+isomerase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50167777&enzyme=Triosephosphate+isomerase&column=ki&startPg=0&Increment=50&submit=Search PGC 4797 104052993 28475 CHEMBL371668 DB03026 ZINC03873625 1 MAEDGEEAEFHFAALYISGQWPRLRADTDLQRLGSSAMAPSRKFFVGGNWKMNGRKQSLGELIGTLNAAKVPADTEVVCAPPTAYIDFARQKLDPKIAVAAQNCYKVTNGAFTGEISPGMIKDCGATWVVLGHSERRHVFGESDELIGQKVAHALAEGLGVIACIGEKLDEREAGITEKVVFEQTKVIADNVKDWSKVVLAYEPVWAIGTGKTATPQQAQEVHEKLRGWLKSNVSDAVAQSTRIIYGGSVTGATCKELASQPDVDGFLVGGASLKPEFVDIINAKQ 1HTI,1SW3,1TIM,1WYI,2JK2,4BR1,4POC,6D43 Triosephosphate isomerase TPIS_HUMAN P60174 B7Z5D8 D3DUS9 P00938 Q6FHP9 Q6IS07 Q8WWD0 Q96AG5 50805279 CNC(=O)[C@H](CC(C)C)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1ccccc1)NC(=O)OC(C)(C)C InChI=1S/C37H58N6O6/c1-24(2)17-27(33(45)38-6)20-32(44)29(18-25-13-9-7-10-14-25)41-35(47)31(21-28-22-39-23-40-28)42-34(46)30(19-26-15-11-8-12-16-26)43-36(48)49-37(3,4)5/h8,11-12,15-16,22-25,27,29-32,44H,7,9-10,13-14,17-21H2,1-6H3,(H,38,45)(H,39,40)(H,41,47)(H,42,46)(H,43,48)/t27-,29+,30?,31?,32+/m1/s1 REDPJRNIRCVACW-SQYZTQLGSA-N 50113828 CHEMBL311322::{1-[1-(1-Cyclohexylmethyl-2-hydroxy-6-methyl-4-methylcarbamoyl-heptylcarbamoyl)-2-(3H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester Triosephosphate isomerase 15000 ChEMBL 10.1021/jm0200299 10.7270/Q28916J7 12036355 Cozzini, P; Fornabaio, M; Marabotti, A; Abraham, DJ; Kellogg, GE; Mozzarelli, A University of Parma http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50113828 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10782&target=Triosephosphate+isomerase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50113828&enzyme=Triosephosphate+isomerase&column=ki&startPg=0&Increment=50&submit=Search 44461620 104008087 CHEMBL311322 ZINC26497405 1 MAEDGEEAEFHFAALYISGQWPRLRADTDLQRLGSSAMAPSRKFFVGGNWKMNGRKQSLGELIGTLNAAKVPADTEVVCAPPTAYIDFARQKLDPKIAVAAQNCYKVTNGAFTGEISPGMIKDCGATWVVLGHSERRHVFGESDELIGQKVAHALAEGLGVIACIGEKLDEREAGITEKVVFEQTKVIADNVKDWSKVVLAYEPVWAIGTGKTATPQQAQEVHEKLRGWLKSNVSDAVAQSTRIIYGGSVTGATCKELASQPDVDGFLVGGASLKPEFVDIINAKQ 1HTI,1SW3,1TIM,1WYI,2JK2,4BR1,4POC,6D43 Triosephosphate isomerase TPIS_HUMAN P60174 B7Z5D8 D3DUS9 P00938 Q6FHP9 Q6IS07 Q8WWD0 Q96AG5 50847018 ONC(=N)COP(O)(O)=O InChI=1S/C2H7N2O5P/c3-2(4-5)1-9-10(6,7)8/h5H,1H2,(H2,3,4)(H2,6,7,8) RGTWPXHBFMRQRP-UHFFFAOYSA-N 50167775 (Z)-2-amino-2-(hydroxyimino)ethyl hydrogen phosphate::CHEMBL195976::Phosphoric acid mono-(N-hydroxycarbamimidoylmethyl) ester Triosephosphate isomerase 4500 ChEMBL 10.1016/j.bmcl.2006.10.030 10.7270/Q2639QK7 17088060 Fonvielle, M; Therisod, H; Hemery, M; Therisod, M Paris-Sud University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50167775 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10782&target=Triosephosphate+isomerase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50167775&enzyme=Triosephosphate+isomerase&column=ki&startPg=0&Increment=50&submit=Search 10419587 104052991 CHEMBL195976 ZINC26738858 1 MAEDGEEAEFHFAALYISGQWPRLRADTDLQRLGSSAMAPSRKFFVGGNWKMNGRKQSLGELIGTLNAAKVPADTEVVCAPPTAYIDFARQKLDPKIAVAAQNCYKVTNGAFTGEISPGMIKDCGATWVVLGHSERRHVFGESDELIGQKVAHALAEGLGVIACIGEKLDEREAGITEKVVFEQTKVIADNVKDWSKVVLAYEPVWAIGTGKTATPQQAQEVHEKLRGWLKSNVSDAVAQSTRIIYGGSVTGATCKELASQPDVDGFLVGGASLKPEFVDIINAKQ 1HTI,1SW3,1TIM,1WYI,2JK2,4BR1,4POC,6D43 Triosephosphate isomerase TPIS_HUMAN P60174 B7Z5D8 D3DUS9 P00938 Q6FHP9 Q6IS07 Q8WWD0 Q96AG5 50847019 ONC(=O)CCP(O)(O)=O InChI=1S/C3H8NO5P/c5-3(4-6)1-2-10(7,8)9/h6H,1-2H2,(H,4,5)(H2,7,8,9) NJYNBLZKSCNAIK-UHFFFAOYSA-N 50167776 (2-Hydroxycarbamoyl-ethyl)-phosphonic acid::3-(hydroxyamino)-3-oxopropylphosphonic acid::CHEMBL196442::hydrogen 3-(hydroxyamino)-3-oxopropylphosphonate Triosephosphate isomerase 160000 ChEMBL 10.1016/j.bmcl.2006.10.030 10.7270/Q2639QK7 17088060 Fonvielle, M; Therisod, H; Hemery, M; Therisod, M Paris-Sud University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50167776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10782&target=Triosephosphate+isomerase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50167776&enzyme=Triosephosphate+isomerase&column=ki&startPg=0&Increment=50&submit=Search 16216823 104052992 CHEMBL196442 ZINC28524874 1 MAEDGEEAEFHFAALYISGQWPRLRADTDLQRLGSSAMAPSRKFFVGGNWKMNGRKQSLGELIGTLNAAKVPADTEVVCAPPTAYIDFARQKLDPKIAVAAQNCYKVTNGAFTGEISPGMIKDCGATWVVLGHSERRHVFGESDELIGQKVAHALAEGLGVIACIGEKLDEREAGITEKVVFEQTKVIADNVKDWSKVVLAYEPVWAIGTGKTATPQQAQEVHEKLRGWLKSNVSDAVAQSTRIIYGGSVTGATCKELASQPDVDGFLVGGASLKPEFVDIINAKQ 1HTI,1SW3,1TIM,1WYI,2JK2,4BR1,4POC,6D43 Triosephosphate isomerase TPIS_HUMAN P60174 B7Z5D8 D3DUS9 P00938 Q6FHP9 Q6IS07 Q8WWD0 Q96AG5 50847020 ONC(=O)CC(=O)P(O)(O)[O-] InChI=1S/C3H7NO6P/c5-2(4-7)1-3(6)11(8,9)10/h7-9,11H,1H2,(H,4,5)/q-1 JBJRSSKELLSGTI-UHFFFAOYSA-N 50198028 hydrogen 1-hydroxy-3-(hydroxyamino)-3-oxopropylphosphonate Triosephosphate isomerase >1000000 ChEMBL 10.1016/j.bmcl.2006.10.030 10.7270/Q2639QK7 17088060 Fonvielle, M; Therisod, H; Hemery, M; Therisod, M Paris-Sud University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10782&target=Triosephosphate+isomerase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198028&enzyme=Triosephosphate+isomerase&column=ki&startPg=0&Increment=50&submit=Search 91936063 104079126 ZINC28820461 1 MAEDGEEAEFHFAALYISGQWPRLRADTDLQRLGSSAMAPSRKFFVGGNWKMNGRKQSLGELIGTLNAAKVPADTEVVCAPPTAYIDFARQKLDPKIAVAAQNCYKVTNGAFTGEISPGMIKDCGATWVVLGHSERRHVFGESDELIGQKVAHALAEGLGVIACIGEKLDEREAGITEKVVFEQTKVIADNVKDWSKVVLAYEPVWAIGTGKTATPQQAQEVHEKLRGWLKSNVSDAVAQSTRIIYGGSVTGATCKELASQPDVDGFLVGGASLKPEFVDIINAKQ 1HTI,1SW3,1TIM,1WYI,2JK2,4BR1,4POC,6D43 Triosephosphate isomerase TPIS_HUMAN P60174 B7Z5D8 D3DUS9 P00938 Q6FHP9 Q6IS07 Q8WWD0 Q96AG5 50847021 ONC(=O)COP(O)(O)=O InChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8) BAXHHWZKQZIJID-UHFFFAOYSA-N 50167777 2-(hydroxyamino)-2-oxoethyl dihydrogen phosphate::CHEMBL371668::Phosphoglycolohydroxamic Acid Triosephosphate isomerase 3000 ChEMBL 10.1016/j.bmcl.2006.10.030 10.7270/Q2639QK7 17088060 Fonvielle, M; Therisod, H; Hemery, M; Therisod, M Paris-Sud University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50167777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10782&target=Triosephosphate+isomerase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50167777&enzyme=Triosephosphate+isomerase&column=ki&startPg=0&Increment=50&submit=Search PGC 4797 104052993 28475 CHEMBL371668 DB03026 ZINC03873625 1 MAEDGEEAEFHFAALYISGQWPRLRADTDLQRLGSSAMAPSRKFFVGGNWKMNGRKQSLGELIGTLNAAKVPADTEVVCAPPTAYIDFARQKLDPKIAVAAQNCYKVTNGAFTGEISPGMIKDCGATWVVLGHSERRHVFGESDELIGQKVAHALAEGLGVIACIGEKLDEREAGITEKVVFEQTKVIADNVKDWSKVVLAYEPVWAIGTGKTATPQQAQEVHEKLRGWLKSNVSDAVAQSTRIIYGGSVTGATCKELASQPDVDGFLVGGASLKPEFVDIINAKQ 1HTI,1SW3,1TIM,1WYI,2JK2,4BR1,4POC,6D43 Triosephosphate isomerase TPIS_HUMAN P60174 B7Z5D8 D3DUS9 P00938 Q6FHP9 Q6IS07 Q8WWD0 Q96AG5 50847022 [NH3+]C(CC(=O)NO)P(O)([O-])=O InChI=1S/C3H9N2O5P/c4-2(11(8,9)10)1-3(6)5-7/h2,7H,1,4H2,(H,5,6)(H2,8,9,10) OEJXQNNCFNLFQK-UHFFFAOYSA-N 50198029 CHEMBL390655::hydrogen [1-azaniumyl-2-(hydroxycarbamoyl)ethyl]phosphonate Triosephosphate isomerase >500000 ChEMBL 10.1016/j.bmcl.2006.10.030 10.7270/Q2639QK7 17088060 Fonvielle, M; Therisod, H; Hemery, M; Therisod, M Paris-Sud University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50198029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10782&target=Triosephosphate+isomerase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50198029&enzyme=Triosephosphate+isomerase&column=ki&startPg=0&Increment=50&submit=Search 44431132 104079127 CHEMBL390655 ZINC28820465 1 MAEDGEEAEFHFAALYISGQWPRLRADTDLQRLGSSAMAPSRKFFVGGNWKMNGRKQSLGELIGTLNAAKVPADTEVVCAPPTAYIDFARQKLDPKIAVAAQNCYKVTNGAFTGEISPGMIKDCGATWVVLGHSERRHVFGESDELIGQKVAHALAEGLGVIACIGEKLDEREAGITEKVVFEQTKVIADNVKDWSKVVLAYEPVWAIGTGKTATPQQAQEVHEKLRGWLKSNVSDAVAQSTRIIYGGSVTGATCKELASQPDVDGFLVGGASLKPEFVDIINAKQ 1HTI,1SW3,1TIM,1WYI,2JK2,4BR1,4POC,6D43 Triosephosphate isomerase TPIS_HUMAN P60174 B7Z5D8 D3DUS9 P00938 Q6FHP9 Q6IS07 Q8WWD0 Q96AG5 50847023 NNC(=O)COP(O)(O)=O InChI=1S/C2H7N2O5P/c3-4-2(5)1-9-10(6,7)8/h1,3H2,(H,4,5)(H2,6,7,8) OTQGCPIGFCJBDI-UHFFFAOYSA-N 50167772 2-hydrazinyl-2-oxoethyl hydrogen phosphate::CHEMBL195520::Phosphoric acid monohydrazinocarbonylmethyl ester Triosephosphate isomerase 111000 ChEMBL 10.1016/j.bmcl.2006.10.030 10.7270/Q2639QK7 17088060 Fonvielle, M; Therisod, H; Hemery, M; Therisod, M Paris-Sud University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50167772 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=10782&target=Triosephosphate+isomerase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50167772&enzyme=Triosephosphate+isomerase&column=ki&startPg=0&Increment=50&submit=Search 10442109 104052988 CHEMBL195520 ZINC26741812 1 MAEDGEEAEFHFAALYISGQWPRLRADTDLQRLGSSAMAPSRKFFVGGNWKMNGRKQSLGELIGTLNAAKVPADTEVVCAPPTAYIDFARQKLDPKIAVAAQNCYKVTNGAFTGEISPGMIKDCGATWVVLGHSERRHVFGESDELIGQKVAHALAEGLGVIACIGEKLDEREAGITEKVVFEQTKVIADNVKDWSKVVLAYEPVWAIGTGKTATPQQAQEVHEKLRGWLKSNVSDAVAQSTRIIYGGSVTGATCKELASQPDVDGFLVGGASLKPEFVDIINAKQ 1HTI,1SW3,1TIM,1WYI,2JK2,4BR1,4POC,6D43 Triosephosphate isomerase TPIS_HUMAN P60174 B7Z5D8 D3DUS9 P00938 Q6FHP9 Q6IS07 Q8WWD0 Q96AG5