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 363992 C1CN1c1nc(nc(n1)-c1cccn1-c1ccccc1)N1CC1 InChI=1S/C17H16N6/c1-2-5-13(6-3-1)23-8-4-7-14(23)15-18-16(21-9-10-21)20-17(19-15)22-11-12-22/h1-8H,9-12H2 DAZONCQAIYYVKR-UHFFFAOYSA-N 205464 PPiase inhibitor, 1 Inorganic pyrophosphatase 1.30e+5 7.5 25.00 C Curated from the literature by BindingDB 10.1021/acschembio.6b00510 10.7270/Q2GF0SBF 27622287 aid1802219 Pang, AH; Garzan, A; Larsen, MJ; McQuade, TJ; Garneau-Tsodikova, S; Tsodikov, OV University of Kentucky http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205464 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8588&target=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205464&enzyme=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search 6RT 5KDE 2823734 321901053 1 MQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH 1SXV,1WCF,2UXS,4Z70,4Z71,4Z72,4Z73,4Z74,5KDE,5KDF Inorganic pyrophosphatase IPYR_MYCTU P9WI55 L0TG18 O06379 P65746 363993 CN(C)c1nc(nc(n1)-c1cccn1-c1ccccc1)N(C)C InChI=1S/C17H20N6/c1-21(2)16-18-15(19-17(20-16)22(3)4)14-11-8-12-23(14)13-9-6-5-7-10-13/h5-12H,1-4H3 YGYIXUFMSVWSAM-UHFFFAOYSA-N 205465 PPiase inhibitor, 6 Inorganic pyrophosphatase 5.40e+5 7.5 25.00 C Curated from the literature by BindingDB 10.1021/acschembio.6b00510 10.7270/Q2GF0SBF 27622287 aid1802219 Pang, AH; Garzan, A; Larsen, MJ; McQuade, TJ; Garneau-Tsodikova, S; Tsodikov, OV University of Kentucky http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205465 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8588&target=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205465&enzyme=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search 6RU 5KDF 122164607 321901054 1 MQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH 1SXV,1WCF,2UXS,4Z70,4Z71,4Z72,4Z73,4Z74,5KDE,5KDF Inorganic pyrophosphatase IPYR_MYCTU P9WI55 L0TG18 O06379 P65746 363994 C1CCCN(CC1)c1nc(nc(n1)-c1cccn1-c1ccccc1)N1CCCCCC1 InChI=1S/C25H32N6/c1-2-9-17-29(16-8-1)24-26-23(27-25(28-24)30-18-10-3-4-11-19-30)22-15-12-20-31(22)21-13-6-5-7-14-21/h5-7,12-15,20H,1-4,8-11,16-19H2 URUJDJXNPZVAGN-UHFFFAOYSA-N 205466 PPiase inhibitor, 9 Inorganic pyrophosphatase 1.15e+5 7.5 25.00 C Curated from the literature by BindingDB 10.1021/acschembio.6b00510 10.7270/Q2GF0SBF 27622287 aid1802219 Pang, AH; Garzan, A; Larsen, MJ; McQuade, TJ; Garneau-Tsodikova, S; Tsodikov, OV University of Kentucky http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205466 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8588&target=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205466&enzyme=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search 123131644 321901055 1 MQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH 1SXV,1WCF,2UXS,4Z70,4Z71,4Z72,4Z73,4Z74,5KDE,5KDF Inorganic pyrophosphatase IPYR_MYCTU P9WI55 L0TG18 O06379 P65746 363995 CCCCN(CCCC)c1nc(Cl)nc(n1)-c1cccn1-c1ccccc1 InChI=1S/C21H26ClN5/c1-3-5-14-26(15-6-4-2)21-24-19(23-20(22)25-21)18-13-10-16-27(18)17-11-8-7-9-12-17/h7-13,16H,3-6,14-15H2,1-2H3 KPAIDBXXIUTGTB-UHFFFAOYSA-N 205467 PPiase inhibitor, 11 Inorganic pyrophosphatase 1.10e+5 7.5 25.00 C Curated from the literature by BindingDB 10.1021/acschembio.6b00510 10.7270/Q2GF0SBF 27622287 aid1802219 Pang, AH; Garzan, A; Larsen, MJ; McQuade, TJ; Garneau-Tsodikova, S; Tsodikov, OV University of Kentucky http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205467 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8588&target=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205467&enzyme=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search 123131645 321901056 1 MQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH 1SXV,1WCF,2UXS,4Z70,4Z71,4Z72,4Z73,4Z74,5KDE,5KDF Inorganic pyrophosphatase IPYR_MYCTU P9WI55 L0TG18 O06379 P65746 363996 CN(C)c1nc(nc(n1)-c1cccn1-c1ccccc1)N1CCCCCC1 InChI=1S/C21H26N6/c1-25(2)20-22-19(23-21(24-20)26-14-8-3-4-9-15-26)18-13-10-16-27(18)17-11-6-5-7-12-17/h5-7,10-13,16H,3-4,8-9,14-15H2,1-2H3 IRKIHDJAMJEBHY-UHFFFAOYSA-N 205468 PPiase inhibitor, 12 Inorganic pyrophosphatase >6.00e+5 7.5 25.00 C Curated from the literature by BindingDB 10.1021/acschembio.6b00510 10.7270/Q2GF0SBF 27622287 aid1802219 Pang, AH; Garzan, A; Larsen, MJ; McQuade, TJ; Garneau-Tsodikova, S; Tsodikov, OV University of Kentucky http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205468 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8588&target=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205468&enzyme=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search 123131646 321901057 1 MQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH 1SXV,1WCF,2UXS,4Z70,4Z71,4Z72,4Z73,4Z74,5KDE,5KDF Inorganic pyrophosphatase IPYR_MYCTU P9WI55 L0TG18 O06379 P65746 363997 CCCCN(CCCC)c1nc(nc(n1)-c1cccn1-c1ccccc1)N1CCCCCC1 InChI=1S/C27H38N6/c1-3-5-18-31(19-6-4-2)26-28-25(29-27(30-26)32-20-12-7-8-13-21-32)24-17-14-22-33(24)23-15-10-9-11-16-23/h9-11,14-17,22H,3-8,12-13,18-21H2,1-2H3 LJNNQAOBSHYXJN-UHFFFAOYSA-N 205469 PPiase inhibitor, 13 Inorganic pyrophosphatase 3.7e+4 7.5 25.00 C Curated from the literature by BindingDB 10.1021/acschembio.6b00510 10.7270/Q2GF0SBF 27622287 aid1802219 Pang, AH; Garzan, A; Larsen, MJ; McQuade, TJ; Garneau-Tsodikova, S; Tsodikov, OV University of Kentucky http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205469 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8588&target=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205469&enzyme=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search 123131647 321901058 1 MQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH 1SXV,1WCF,2UXS,4Z70,4Z71,4Z72,4Z73,4Z74,5KDE,5KDF Inorganic pyrophosphatase IPYR_MYCTU P9WI55 L0TG18 O06379 P65746 363998 CCCCCCN(CCCCCC)c1nc(nc(n1)-c1cccn1-c1ccccc1)N1CCCCCC1 InChI=1S/C31H46N6/c1-3-5-7-14-22-35(23-15-8-6-4-2)30-32-29(33-31(34-30)36-24-16-9-10-17-25-36)28-21-18-26-37(28)27-19-12-11-13-20-27/h11-13,18-21,26H,3-10,14-17,22-25H2,1-2H3 LELNOJCIEJSNGV-UHFFFAOYSA-N 205470 PPiase inhibitor, 14 Inorganic pyrophosphatase 4.4e+4 7.5 25.00 C Curated from the literature by BindingDB 10.1021/acschembio.6b00510 10.7270/Q2GF0SBF 27622287 aid1802219 Pang, AH; Garzan, A; Larsen, MJ; McQuade, TJ; Garneau-Tsodikova, S; Tsodikov, OV University of Kentucky http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205470 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8588&target=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205470&enzyme=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search 123131648 321901059 1 MQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH 1SXV,1WCF,2UXS,4Z70,4Z71,4Z72,4Z73,4Z74,5KDE,5KDF Inorganic pyrophosphatase IPYR_MYCTU P9WI55 L0TG18 O06379 P65746 363999 CCCCN(CCCC)c1nc(nc(n1)-c1cccn1Cc1ccccc1)N1CCCCCC1 InChI=1S/C28H40N6/c1-3-5-18-32(19-6-4-2)27-29-26(30-28(31-27)33-20-12-7-8-13-21-33)25-17-14-22-34(25)23-24-15-10-9-11-16-24/h9-11,14-17,22H,3-8,12-13,18-21,23H2,1-2H3 BGJKJQQTTDUDJW-UHFFFAOYSA-N 205471 PPiase inhibitor, 15 Inorganic pyrophosphatase 2.7e+4 7.5 25.00 C Curated from the literature by BindingDB 10.1021/acschembio.6b00510 10.7270/Q2GF0SBF 27622287 aid1802219 Pang, AH; Garzan, A; Larsen, MJ; McQuade, TJ; Garneau-Tsodikova, S; Tsodikov, OV University of Kentucky http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205471 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8588&target=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205471&enzyme=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search 123131649 321901060 1 MQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH 1SXV,1WCF,2UXS,4Z70,4Z71,4Z72,4Z73,4Z74,5KDE,5KDF Inorganic pyrophosphatase IPYR_MYCTU P9WI55 L0TG18 O06379 P65746 364000 CCCCN(CCCC)c1nc(nc(n1)-c1cccn1CCc1ccccc1)N1CCCCCC1 InChI=1S/C29H42N6/c1-3-5-19-34(20-6-4-2)28-30-27(31-29(32-28)35-21-12-7-8-13-22-35)26-17-14-23-33(26)24-18-25-15-10-9-11-16-25/h9-11,14-17,23H,3-8,12-13,18-22,24H2,1-2H3 BPXBBQRVGGIUKH-UHFFFAOYSA-N 205472 PPiase inhibitor, 16 Inorganic pyrophosphatase 2.3e+4 7.5 25.00 C Curated from the literature by BindingDB 10.1021/acschembio.6b00510 10.7270/Q2GF0SBF 27622287 aid1802219 Pang, AH; Garzan, A; Larsen, MJ; McQuade, TJ; Garneau-Tsodikova, S; Tsodikov, OV University of Kentucky http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205472 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8588&target=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205472&enzyme=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search 123131650 321901061 1 MQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH 1SXV,1WCF,2UXS,4Z70,4Z71,4Z72,4Z73,4Z74,5KDE,5KDF Inorganic pyrophosphatase IPYR_MYCTU P9WI55 L0TG18 O06379 P65746 364001 CCCCN(CCCC)c1nc(nc(n1)-c1cccn1CCCc1ccccc1)N1CCCCCC1 InChI=1S/C30H44N6/c1-3-5-20-35(21-6-4-2)29-31-28(32-30(33-29)36-22-12-7-8-13-23-36)27-19-15-25-34(27)24-14-18-26-16-10-9-11-17-26/h9-11,15-17,19,25H,3-8,12-14,18,20-24H2,1-2H3 XBXHHYQMSKFLOU-UHFFFAOYSA-N 205473 PPiase inhibitor, 17 Inorganic pyrophosphatase 3.6e+4 7.5 25.00 C Curated from the literature by BindingDB 10.1021/acschembio.6b00510 10.7270/Q2GF0SBF 27622287 aid1802219 Pang, AH; Garzan, A; Larsen, MJ; McQuade, TJ; Garneau-Tsodikova, S; Tsodikov, OV University of Kentucky http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205473 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8588&target=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205473&enzyme=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search 123131651 321901062 1 MQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH 1SXV,1WCF,2UXS,4Z70,4Z71,4Z72,4Z73,4Z74,5KDE,5KDF Inorganic pyrophosphatase IPYR_MYCTU P9WI55 L0TG18 O06379 P65746 364002 CCCCN(CCCC)c1nc(nc(n1)-c1cccn1-c1cc(C)cc(C)c1)N1CCCCCC1 InChI=1S/C29H42N6/c1-5-7-15-33(16-8-6-2)28-30-27(31-29(32-28)34-17-11-9-10-12-18-34)26-14-13-19-35(26)25-21-23(3)20-24(4)22-25/h13-14,19-22H,5-12,15-18H2,1-4H3 ZFMHXRROXGHVOR-UHFFFAOYSA-N 205474 PPiase inhibitor, 18 Inorganic pyrophosphatase 5.8e+4 7.5 25.00 C Curated from the literature by BindingDB 10.1021/acschembio.6b00510 10.7270/Q2GF0SBF 27622287 aid1802219 Pang, AH; Garzan, A; Larsen, MJ; McQuade, TJ; Garneau-Tsodikova, S; Tsodikov, OV University of Kentucky http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205474 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8588&target=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205474&enzyme=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search 123131652 321901063 1 MQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH 1SXV,1WCF,2UXS,4Z70,4Z71,4Z72,4Z73,4Z74,5KDE,5KDF Inorganic pyrophosphatase IPYR_MYCTU P9WI55 L0TG18 O06379 P65746 364003 CCCCN(CCCC)c1nc(nc(n1)-c1cccn1C1CCCCC1)N1CCCCCC1 InChI=1S/C27H44N6/c1-3-5-18-31(19-6-4-2)26-28-25(29-27(30-26)32-20-12-7-8-13-21-32)24-17-14-22-33(24)23-15-10-9-11-16-23/h14,17,22-23H,3-13,15-16,18-21H2,1-2H3 PZVFNJGSKGVIRY-UHFFFAOYSA-N 205475 PPiase inhibitor, 19 Inorganic pyrophosphatase 7.2e+4 7.5 25.00 C Curated from the literature by BindingDB 10.1021/acschembio.6b00510 10.7270/Q2GF0SBF 27622287 aid1802219 Pang, AH; Garzan, A; Larsen, MJ; McQuade, TJ; Garneau-Tsodikova, S; Tsodikov, OV University of Kentucky http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8588&target=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205475&enzyme=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search 123131653 321901064 1 MQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH 1SXV,1WCF,2UXS,4Z70,4Z71,4Z72,4Z73,4Z74,5KDE,5KDF Inorganic pyrophosphatase IPYR_MYCTU P9WI55 L0TG18 O06379 P65746 364004 CCCCCCN(CCCCCC)c1nc(nc(n1)-c1cccn1Cc1ccccc1)N(CCCC)CCCC InChI=1S/C34H54N6/c1-5-9-13-18-26-39(27-19-14-10-6-2)34-36-32(35-33(37-34)38(24-11-7-3)25-12-8-4)31-23-20-28-40(31)29-30-21-16-15-17-22-30/h15-17,20-23,28H,5-14,18-19,24-27,29H2,1-4H3 WYOSHNXTCYFHBY-UHFFFAOYSA-N 205476 PPiase inhibitor, 20 Inorganic pyrophosphatase >6.00e+5 7.5 25.00 C Curated from the literature by BindingDB 10.1021/acschembio.6b00510 10.7270/Q2GF0SBF 27622287 aid1802219 Pang, AH; Garzan, A; Larsen, MJ; McQuade, TJ; Garneau-Tsodikova, S; Tsodikov, OV University of Kentucky http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8588&target=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205476&enzyme=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search 123131654 321901065 1 MQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH 1SXV,1WCF,2UXS,4Z70,4Z71,4Z72,4Z73,4Z74,5KDE,5KDF Inorganic pyrophosphatase IPYR_MYCTU P9WI55 L0TG18 O06379 P65746 364005 Cc1cc(C)cc(c1)-n1cccc1-c1nc(nc(n1)N1CCCCCC1)N1CCCCCC1 InChI=1S/C27H36N6/c1-21-18-22(2)20-23(19-21)33-17-11-12-24(33)25-28-26(31-13-7-3-4-8-14-31)30-27(29-25)32-15-9-5-6-10-16-32/h11-12,17-20H,3-10,13-16H2,1-2H3 QEASZOUOJFTMJL-UHFFFAOYSA-N 205477 PPiase inhibitor, 21 Inorganic pyrophosphatase 1.66e+5 7.5 25.00 C Curated from the literature by BindingDB 10.1021/acschembio.6b00510 10.7270/Q2GF0SBF 27622287 aid1802219 Pang, AH; Garzan, A; Larsen, MJ; McQuade, TJ; Garneau-Tsodikova, S; Tsodikov, OV University of Kentucky http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=205477 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8588&target=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=205477&enzyme=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search 123131655 321901066 1 MQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH 1SXV,1WCF,2UXS,4Z70,4Z71,4Z72,4Z73,4Z74,5KDE,5KDF Inorganic pyrophosphatase IPYR_MYCTU P9WI55 L0TG18 O06379 P65746 51087012 Cc1ccc(o1)-c1cnnc(n1)N1CCC(C1)c1cccc(Cl)c1 InChI=1S/C18H17ClN4O/c1-12-5-6-17(24-12)16-10-20-22-18(21-16)23-8-7-14(11-23)13-3-2-4-15(19)9-13/h2-6,9-10,14H,7-8,11H2,1H3 CFJNWSWIMPJVJE-UHFFFAOYSA-N 50444859 CHEMBL3099427 Inorganic pyrophosphatase 147500 ChEMBL 10.1016/j.bmc.2013.11.011 10.7270/Q2K35W4C 24315189 Lv, W; Banerjee, B; Molland, KL; Seleem, MN; Ghafoor, A; Hamed, MI; Wan, B; Franzblau, SG; Mesecar, AD; Cushman, M Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444859 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8588&target=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50444859&enzyme=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search 56707911 194942755 CHEMBL3099427 1 MQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH 1SXV,1WCF,2UXS,4Z70,4Z71,4Z72,4Z73,4Z74,5KDE,5KDF Inorganic pyrophosphatase IPYR_MYCTU P9WI55 L0TG18 O06379 P65746 51087003 FC(F)(F)c1ccccc1-c1ccc(o1)-c1cnnc(n1)N1CCC(C1)c1cccc(Cl)c1 InChI=1S/C24H18ClF3N4O/c25-17-5-3-4-15(12-17)16-10-11-32(14-16)23-30-20(13-29-31-23)22-9-8-21(33-22)18-6-1-2-7-19(18)24(26,27)28/h1-9,12-13,16H,10-11,14H2 CIKBWOHYDMLXCM-UHFFFAOYSA-N 50444850 CHEMBL3099412 Inorganic pyrophosphatase 38300 ChEMBL 10.1016/j.bmc.2013.11.011 10.7270/Q2K35W4C 24315189 Lv, W; Banerjee, B; Molland, KL; Seleem, MN; Ghafoor, A; Hamed, MI; Wan, B; Franzblau, SG; Mesecar, AD; Cushman, M Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444850 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8588&target=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50444850&enzyme=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search 73054178 194942746 CHEMBL3099412 1 MQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH 1SXV,1WCF,2UXS,4Z70,4Z71,4Z72,4Z73,4Z74,5KDE,5KDF Inorganic pyrophosphatase IPYR_MYCTU P9WI55 L0TG18 O06379 P65746 51087004 Nc1ccc(cc1)-c1cnnc(n1)N1CCC(C1)c1cccc(Cl)c1 InChI=1S/C19H18ClN5/c20-16-3-1-2-14(10-16)15-8-9-25(12-15)19-23-18(11-22-24-19)13-4-6-17(21)7-5-13/h1-7,10-11,15H,8-9,12,21H2 AHNNVBSWPOYFRO-UHFFFAOYSA-N 50444851 CHEMBL3099410 Inorganic pyrophosphatase 88100 ChEMBL 10.1016/j.bmc.2013.11.011 10.7270/Q2K35W4C 24315189 Lv, W; Banerjee, B; Molland, KL; Seleem, MN; Ghafoor, A; Hamed, MI; Wan, B; Franzblau, SG; Mesecar, AD; Cushman, M Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444851 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8588&target=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50444851&enzyme=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search 73054176 194942747 CHEMBL3099410 1 MQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH 1SXV,1WCF,2UXS,4Z70,4Z71,4Z72,4Z73,4Z74,5KDE,5KDF Inorganic pyrophosphatase IPYR_MYCTU P9WI55 L0TG18 O06379 P65746 51087005 Nc1cccc(c1)-c1cnnc(n1)N1CCC(C1)c1cccc(Cl)c1 InChI=1S/C19H18ClN5/c20-16-5-1-3-13(9-16)15-7-8-25(12-15)19-23-18(11-22-24-19)14-4-2-6-17(21)10-14/h1-6,9-11,15H,7-8,12,21H2 BAWULSPDKNVAJY-UHFFFAOYSA-N 50444852 CHEMBL3099409 Inorganic pyrophosphatase 57400 ChEMBL 10.1016/j.bmc.2013.11.011 10.7270/Q2K35W4C 24315189 Lv, W; Banerjee, B; Molland, KL; Seleem, MN; Ghafoor, A; Hamed, MI; Wan, B; Franzblau, SG; Mesecar, AD; Cushman, M Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444852 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8588&target=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50444852&enzyme=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search 73054175 194942748 CHEMBL3099409 1 MQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH 1SXV,1WCF,2UXS,4Z70,4Z71,4Z72,4Z73,4Z74,5KDE,5KDF Inorganic pyrophosphatase IPYR_MYCTU P9WI55 L0TG18 O06379 P65746 51087006 [O-][N+](=O)c1cccc(c1)-c1cnnc(n1)N1CCC(C1)c1cccc(Cl)c1 InChI=1S/C19H16ClN5O2/c20-16-5-1-3-13(9-16)15-7-8-24(12-15)19-22-18(11-21-23-19)14-4-2-6-17(10-14)25(26)27/h1-6,9-11,15H,7-8,12H2 UZCJPUVQAPKXTG-UHFFFAOYSA-N 50444853 CHEMBL3099407 Inorganic pyrophosphatase 118200 ChEMBL 10.1016/j.bmc.2013.11.011 10.7270/Q2K35W4C 24315189 Lv, W; Banerjee, B; Molland, KL; Seleem, MN; Ghafoor, A; Hamed, MI; Wan, B; Franzblau, SG; Mesecar, AD; Cushman, M Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444853 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8588&target=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50444853&enzyme=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search 73054173 194942749 CHEMBL3099407 1 MQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH 1SXV,1WCF,2UXS,4Z70,4Z71,4Z72,4Z73,4Z74,5KDE,5KDF Inorganic pyrophosphatase IPYR_MYCTU P9WI55 L0TG18 O06379 P65746 51087007 Clc1cccc(c1)C1CCN(C1)c1nncc(n1)-c1ccc(Br)cc1 InChI=1S/C19H16BrClN4/c20-16-6-4-13(5-7-16)18-11-22-24-19(23-18)25-9-8-15(12-25)14-2-1-3-17(21)10-14/h1-7,10-11,15H,8-9,12H2 PZMDCHLFHVYJRI-UHFFFAOYSA-N 50444854 CHEMBL3099405 Inorganic pyrophosphatase 33300 ChEMBL 10.1016/j.bmc.2013.11.011 10.7270/Q2K35W4C 24315189 Lv, W; Banerjee, B; Molland, KL; Seleem, MN; Ghafoor, A; Hamed, MI; Wan, B; Franzblau, SG; Mesecar, AD; Cushman, M Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444854 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8588&target=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50444854&enzyme=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search 73053901 194942750 CHEMBL3099405 1 MQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH 1SXV,1WCF,2UXS,4Z70,4Z71,4Z72,4Z73,4Z74,5KDE,5KDF Inorganic pyrophosphatase IPYR_MYCTU P9WI55 L0TG18 O06379 P65746 51087008 COc1ccc(cc1OC)-c1cnnc(n1)N1CCC(C1)c1cccc(Cl)c1 InChI=1S/C21H21ClN4O2/c1-27-19-7-6-15(11-20(19)28-2)18-12-23-25-21(24-18)26-9-8-16(13-26)14-4-3-5-17(22)10-14/h3-7,10-12,16H,8-9,13H2,1-2H3 HTIVKEWQTQZBNV-UHFFFAOYSA-N 50444855 CHEMBL3099425 Inorganic pyrophosphatase 53200 ChEMBL 10.1016/j.bmc.2013.11.011 10.7270/Q2K35W4C 24315189 Lv, W; Banerjee, B; Molland, KL; Seleem, MN; Ghafoor, A; Hamed, MI; Wan, B; Franzblau, SG; Mesecar, AD; Cushman, M Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444855 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8588&target=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50444855&enzyme=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search 73053900 194942751 CHEMBL3099425 1 MQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH 1SXV,1WCF,2UXS,4Z70,4Z71,4Z72,4Z73,4Z74,5KDE,5KDF Inorganic pyrophosphatase IPYR_MYCTU P9WI55 L0TG18 O06379 P65746 51087009 Clc1cccc(c1)C1CCN(C1)c1nncc(n1)-c1ccccc1 InChI=1S/C19H17ClN4/c20-17-8-4-7-15(11-17)16-9-10-24(13-16)19-22-18(12-21-23-19)14-5-2-1-3-6-14/h1-8,11-12,16H,9-10,13H2 MHRWDAGZAVPDOH-UHFFFAOYSA-N 50444856 CHEMBL3099424 Inorganic pyrophosphatase 101500 ChEMBL 10.1016/j.bmc.2013.11.011 10.7270/Q2K35W4C 24315189 Lv, W; Banerjee, B; Molland, KL; Seleem, MN; Ghafoor, A; Hamed, MI; Wan, B; Franzblau, SG; Mesecar, AD; Cushman, M Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444856 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8588&target=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50444856&enzyme=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search 45169971 194942752 CHEMBL3099424 1 MQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH 1SXV,1WCF,2UXS,4Z70,4Z71,4Z72,4Z73,4Z74,5KDE,5KDF Inorganic pyrophosphatase IPYR_MYCTU P9WI55 L0TG18 O06379 P65746 51087010 Cc1ccc(o1)-c1cnnc(n1)N1CCC(C1)c1cccc(c1)C(F)(F)F InChI=1S/C19H17F3N4O/c1-12-5-6-17(27-12)16-10-23-25-18(24-16)26-8-7-14(11-26)13-3-2-4-15(9-13)19(20,21)22/h2-6,9-10,14H,7-8,11H2,1H3 XRAJVTZSGJPDEJ-UHFFFAOYSA-N 50444857 CHEMBL3099418 Inorganic pyrophosphatase 354500 ChEMBL 10.1016/j.bmc.2013.11.011 10.7270/Q2K35W4C 24315189 Lv, W; Banerjee, B; Molland, KL; Seleem, MN; Ghafoor, A; Hamed, MI; Wan, B; Franzblau, SG; Mesecar, AD; Cushman, M Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444857 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8588&target=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50444857&enzyme=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search 73058270 194942753 CHEMBL3099418 1 MQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH 1SXV,1WCF,2UXS,4Z70,4Z71,4Z72,4Z73,4Z74,5KDE,5KDF Inorganic pyrophosphatase IPYR_MYCTU P9WI55 L0TG18 O06379 P65746 51087011 Cc1ccc(o1)-c1cnnc(n1)N1CCC(C1)c1cccc(OCc2ccccc2)c1 InChI=1S/C25H24N4O2/c1-18-10-11-24(31-18)23-15-26-28-25(27-23)29-13-12-21(16-29)20-8-5-9-22(14-20)30-17-19-6-3-2-4-7-19/h2-11,14-15,21H,12-13,16-17H2,1H3 VVYVJRGYGKMYHQ-UHFFFAOYSA-N 50444858 CHEMBL3099415 Inorganic pyrophosphatase 63200 ChEMBL 10.1016/j.bmc.2013.11.011 10.7270/Q2K35W4C 24315189 Lv, W; Banerjee, B; Molland, KL; Seleem, MN; Ghafoor, A; Hamed, MI; Wan, B; Franzblau, SG; Mesecar, AD; Cushman, M Purdue University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50444858 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=8588&target=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50444858&enzyme=Inorganic+pyrophosphatase&column=ki&startPg=0&Increment=50&submit=Search 73058267 194942754 CHEMBL3099415 1 MQFDVTIEIPKGQRNKYEVDHETGRVRLDRYLYTPMAYPTDYGFIEDTLGDDGDPLDALVLLPQPVFPGVLVAARPVGMFRMVDEHGGDDKVLCVPAGDPRWDHVQDIGDVPAFELDAIKHFFVHYKDLEPGKFVKAADWVDRAEAEAEVQRSVERFKAGTH 1SXV,1WCF,2UXS,4Z70,4Z71,4Z72,4Z73,4Z74,5KDE,5KDF Inorganic pyrophosphatase IPYR_MYCTU P9WI55 L0TG18 O06379 P65746