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 51036967 O=c1[nH]cnc2n[nH]cc12 InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10) OFCNXPDARWKPPY-UHFFFAOYSA-N 35440 ALLOPURINOL::MLS000069453::SMR000059083::cid_2094 Purine nucleoside phosphorylase Mycobacterium tuberculosis 1000000 ChEMBL 10.1016/j.bmc.2010.05.009 10.7270/Q2TQ62T5 20570524 Ducati, RG; Basso, LA; Santos, DS; de Azevedo, WF Pontifical Catholic University of Rio Grande do Sul http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=35440 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=35440&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 2094 252617705 6795 ZINC13298313 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 1G2O,1I80,1N3I,3IOM,3IX2,3SCZ Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51036968 O=c1[nH]cnc2ccccc12 InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11) QMNUDYFKZYBWQX-UHFFFAOYSA-N 27504 4-HQN::4-hydroxyquinazoline::CHEMBL266540::quinazolin-4-ol Purine nucleoside phosphorylase Mycobacterium tuberculosis 316228 ChEMBL 10.1016/j.bmc.2010.05.009 10.7270/Q2TQ62T5 20570524 Ducati, RG; Basso, LA; Santos, DS; de Azevedo, WF Pontifical Catholic University of Rio Grande do Sul http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=27504 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=27504&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search WQG 7OJO,5S1Q 63112 57299213 CHEMBL266540 ZINC17970819 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 1G2O,1I80,1N3I,3IOM,3IX2,3SCZ Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51036969 O=c1[nH]c2n[nH]cc2c(=O)[nH]1 InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11) HXNFUBHNUDHIGC-UHFFFAOYSA-N 50423777 OXYPURINOL::Oxipurinol Purine nucleoside phosphorylase Mycobacterium tuberculosis 794328 ChEMBL 10.1016/j.bmc.2010.05.009 10.7270/Q2TQ62T5 20570524 Ducati, RG; Basso, LA; Santos, DS; de Azevedo, WF Pontifical Catholic University of Rio Grande do Sul http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50423777 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50423777&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 4644 164152652 ZINC84462581 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 1G2O,1I80,1N3I,3IOM,3IX2,3SCZ Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51036970 CSc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O InChI=1S/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1 ZDRFDHHANOYUTE-IOSLPCCCSA-N 50412071 CHEMBL388931 Purine nucleoside phosphorylase Mycobacterium tuberculosis 12589 ChEMBL 10.1016/j.bmc.2010.05.009 10.7270/Q2TQ62T5 20570524 Ducati, RG; Basso, LA; Santos, DS; de Azevedo, WF Pontifical Catholic University of Rio Grande do Sul http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50412071 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50412071&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search MTP 2AB8,2AA0,6C9P,1PR4 9570 163361095 44081 CHEMBL388931 ZINC00519128 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 1G2O,1I80,1N3I,3IOM,3IX2,3SCZ Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51036971 Nc1nc2n(COCCO)cnc2c(=O)[nH]1 InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15) MKUXAQIIEYXACX-UHFFFAOYSA-N 50021776 2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-purin-6-one::2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-purin-6-one (ACV)::ACYCLOVIR::CHEMBL279075 Purine nucleoside phosphorylase Mycobacterium tuberculosis 12589 ChEMBL 10.1016/j.bmc.2010.05.009 10.7270/Q2TQ62T5 20570524 Ducati, RG; Basso, LA; Santos, DS; de Azevedo, WF Pontifical Catholic University of Rio Grande do Sul http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50021776 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50021776&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search AC2 5I3C,7VRH,2KI5,4DA7,1PWY,3IX2,7VRI,3MJR 2022 103932474 2453 CHEMBL279075 C06810 ZINC28224741 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 1G2O,1I80,1N3I,3IOM,3IX2,3SCZ Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51036972 S=c1[nH]cnc2nc[nH]c12 InChI=1S/C5H4N4S/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10) GLVAUDGFNGKCSF-UHFFFAOYSA-N 50423778 Leukerin::MERCAPTOPURINE::Mercaleukin::Mercaptopurine anhydrous::Purinethol Purine nucleoside phosphorylase Mycobacterium tuberculosis 79433 ChEMBL 10.1016/j.bmc.2010.05.009 10.7270/Q2TQ62T5 20570524 Ducati, RG; Basso, LA; Santos, DS; de Azevedo, WF Pontifical Catholic University of Rio Grande do Sul http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50423778 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50423778&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 667490 164152653 2208 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 1G2O,1I80,1N3I,3IOM,3IX2,3SCZ Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51036973 CSc1nc(N)nc2nc[nH]c12 InChI=1S/C6H7N5S/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2H,1H3,(H3,7,8,9,10,11) YEGKYFQLKYGHAR-UHFFFAOYSA-N 50334271 6-(methylthio)-9H-purin-2-amine::6-methylsulfanyl-7H-purin-2-amine::CHEMBL1172777 Purine nucleoside phosphorylase Mycobacterium tuberculosis 316228 ChEMBL 10.1016/j.bmc.2010.05.009 10.7270/Q2TQ62T5 20570524 Ducati, RG; Basso, LA; Santos, DS; de Azevedo, WF Pontifical Catholic University of Rio Grande do Sul http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50334271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50334271&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 70976 125084373 CHEMBL1172777 ZINC13543088 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 1G2O,1I80,1N3I,3IOM,3IX2,3SCZ Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51036974 Nc1nc2n(COC(CO)CO)cnc2c(=O)[nH]1 InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-3-14(7)4-18-5(1-15)2-16/h3,5,15-16H,1-2,4H2,(H3,10,12,13,17) IRSCQMHQWWYFCW-UHFFFAOYSA-N 85707 CAS_82410-32-0::DHPG::NSC_3454 Purine nucleoside phosphorylase Mycobacterium tuberculosis 15849 ChEMBL 10.1016/j.bmc.2010.05.009 10.7270/Q2TQ62T5 20570524 Ducati, RG; Basso, LA; Santos, DS; de Azevedo, WF Pontifical Catholic University of Rio Grande do Sul http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=85707 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=85707&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search GA2 4DA6,1KI2 3454 136351807 DB01004 ZINC00001505 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 1G2O,1I80,1N3I,3IOM,3IX2,3SCZ Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546306 O=c1[nH]cnc2c(Sc3ccccc3)c[nH]c12 InChI=1S/C12H9N3OS/c16-12-11-10(14-7-15-12)9(6-13-11)17-8-4-2-1-3-5-8/h1-7,13H,(H,14,15,16) CJVGETZWVRPNOL-UHFFFAOYSA-N 50621891 CHEMBL5440187 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 6187 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621891 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621891&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546307 Oc1ccccc1Sc1c[nH]c2c1nc[nH]c2=O InChI=1S/C12H9N3O2S/c16-7-3-1-2-4-8(7)18-9-5-13-11-10(9)14-6-15-12(11)17/h1-6,13,16H,(H,14,15,17) IJHJUQFGJIBACB-UHFFFAOYSA-N 50621894 CHEMBL5405457 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 364 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621894 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621894&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546308 OCc1ccccc1Sc1c[nH]c2c1nc[nH]c2=O InChI=1S/C13H11N3O2S/c17-6-8-3-1-2-4-9(8)19-10-5-14-12-11(10)15-7-16-13(12)18/h1-5,7,14,17H,6H2,(H,15,16,18) BKFOSTZJVNGDOE-UHFFFAOYSA-N 50621895 CHEMBL5395250 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 4119 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621895 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621895&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546309 [Na+].[Na+].[O-]P([O-])(=O)COCCSc1c[nH]c2c1nc[nH]c2=O InChI=1S/C9H12N3O5PS.2Na/c13-9-8-7(11-4-12-9)6(3-10-8)19-2-1-17-5-18(14,15)16;;/h3-4,10H,1-2,5H2,(H,11,12,13)(H2,14,15,16);;/q;2*+1/p-2 LKYLUJQHBPCTBR-UHFFFAOYSA-L 50621897 CHEMBL5422679 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 644 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621897 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621897&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546310 [Na+].[Na+].[O-]P([O-])(=O)CCOCCSc1c[nH]c2c1nc[nH]c2=O InChI=1S/C10H14N3O5PS.2Na/c14-10-9-8(12-6-13-10)7(5-11-9)20-4-2-18-1-3-19(15,16)17;;/h5-6,11H,1-4H2,(H,12,13,14)(H2,15,16,17);;/q;2*+1/p-2 GFXYQNSMCGQHGZ-UHFFFAOYSA-L 50621898 CHEMBL5414001 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 166 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621898 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621898&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546311 [Na+].[Na+].[O-]P([O-])(=O)Cc1ccccc1Sc1c[nH]c2c1nc[nH]c2=O InChI=1S/C13H12N3O4PS.2Na/c17-13-12-11(15-7-16-13)10(5-14-12)22-9-4-2-1-3-8(9)6-21(18,19)20;;/h1-5,7,14H,6H2,(H,15,16,17)(H2,18,19,20);;/q;2*+1/p-2 PENLANWPJONOQC-UHFFFAOYSA-L 50621899 CHEMBL5440385 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 176 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621899 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621899&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546312 [Na+].[Na+].[O-]P([O-])(=O)\C=C\c1ccccc1Sc1c[nH]c2c1nc[nH]c2=O InChI=1S/C14H12N3O4PS.2Na/c18-14-13-12(16-8-17-14)11(7-15-13)23-10-4-2-1-3-9(10)5-6-22(19,20)21;;/h1-8,15H,(H,16,17,18)(H2,19,20,21);;/q;2*+1/p-2/b6-5+;; PJHDFEXUSDICLP-TXOOBNKBSA-L 50621900 CHEMBL5401879 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 25 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621900 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621900&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546313 [Na+].[Na+].[O-]P([O-])(=O)COc1ccccc1Sc1c[nH]c2c1nc[nH]c2=O InChI=1S/C13H12N3O5PS.2Na/c17-13-12-11(15-6-16-13)10(5-14-12)23-9-4-2-1-3-8(9)21-7-22(18,19)20;;/h1-6,14H,7H2,(H,15,16,17)(H2,18,19,20);;/q;2*+1/p-2 RYFVPISJNRIYPE-UHFFFAOYSA-L 50621901 CHEMBL5435392 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 31 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621901 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621901&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546314 [Na+].[Na+].[O-]P([O-])(=O)c1cccc(Sc2c[nH]c3c2nc[nH]c3=O)c1 InChI=1S/C12H10N3O4PS.2Na/c16-12-11-10(14-6-15-12)9(5-13-11)21-8-3-1-2-7(4-8)20(17,18)19;;/h1-6,13H,(H,14,15,16)(H2,17,18,19);;/q;2*+1/p-2 IJLMRPCRDZRZGS-UHFFFAOYSA-L 50621902 CHEMBL5428161 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 10000 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621902 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621902&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546315 [Na+].[Na+].[O-]P([O-])(=O)COCc1ccccc1Sc1c[nH]c2c1nc[nH]c2=O InChI=1S/C14H14N3O5PS.2Na/c18-14-13-12(16-7-17-14)11(5-15-13)24-10-4-2-1-3-9(10)6-22-8-23(19,20)21;;/h1-5,7,15H,6,8H2,(H,16,17,18)(H2,19,20,21);;/q;2*+1/p-2 ACUPTKYGKGZJPD-UHFFFAOYSA-L 50621903 CHEMBL5399481 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 25 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621903 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621903&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546316 [Na+].[Na+].Oc1ccc(\C=C\P([O-])([O-])=O)c(Sc2c[nH]c3c2nc[nH]c3=O)c1 InChI=1S/C14H12N3O5PS.2Na/c18-9-2-1-8(3-4-23(20,21)22)10(5-9)24-11-6-15-13-12(11)16-7-17-14(13)19;;/h1-7,15,18H,(H,16,17,19)(H2,20,21,22);;/q;2*+1/p-2/b4-3+;; GXFMVZUOGQGCMR-CZEFNJPISA-L 50621904 CHEMBL5395974 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 48 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621904 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621904&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546317 [Na+].[Na+].COc1ccc(\C=C\P([O-])([O-])=O)c(Sc2c[nH]c3c2nc[nH]c3=O)c1 InChI=1S/C15H14N3O5PS.2Na/c1-23-10-3-2-9(4-5-24(20,21)22)11(6-10)25-12-7-16-14-13(12)17-8-18-15(14)19;;/h2-8,16H,1H3,(H,17,18,19)(H2,20,21,22);;/q;2*+1/p-2/b5-4+;; YYHZKUSGGQXFFR-SFKRKKMESA-L 50621905 CHEMBL5411413 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 36 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621905 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621905&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546318 [Na+].[Na+].CC(C)Oc1ccc(\C=C\P([O-])([O-])=O)c(Sc2c[nH]c3c2nc[nH]c3=O)c1 InChI=1S/C17H18N3O5PS.2Na/c1-10(2)25-12-4-3-11(5-6-26(22,23)24)13(7-12)27-14-8-18-16-15(14)19-9-20-17(16)21;;/h3-10,18H,1-2H3,(H,19,20,21)(H2,22,23,24);;/q;2*+1/p-2/b6-5+;; FCTNASSPQPPTLC-TXOOBNKBSA-L 50621906 CHEMBL5395007 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 16 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621906 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621906&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546319 [Na+].[Na+].[O-]P([O-])(=O)\C=C\c1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1Sc1c[nH]c2c1nc[nH]c2=O InChI=1S/C20H11F5N3O5PS.2Na/c21-12-13(22)15(24)19(16(25)14(12)23)33-9-2-1-8(3-4-34(30,31)32)10(5-9)35-11-6-26-18-17(11)27-7-28-20(18)29;;/h1-7,26H,(H,27,28,29)(H2,30,31,32);;/q;2*+1/p-2/b4-3+;; SXZYADDHBLVAPC-CZEFNJPISA-L 50621907 CHEMBL5483062 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 29 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621907 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621907&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546320 [Na+].[Na+].[O-]P([O-])(=O)\C=C\c1ccc(OCc2c(F)c(F)c(F)c(F)c2F)cc1Sc1c[nH]c2c1nc[nH]c2=O InChI=1S/C21H13F5N3O5PS.2Na/c22-14-11(15(23)17(25)18(26)16(14)24)7-34-10-2-1-9(3-4-35(31,32)33)12(5-10)36-13-6-27-20-19(13)28-8-29-21(20)30;;/h1-6,8,27H,7H2,(H,28,29,30)(H2,31,32,33);;/q;2*+1/p-2/b4-3+;; CIBPGSJTKKEDOJ-CZEFNJPISA-L 50621908 CHEMBL5435723 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 28 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621908 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621908&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546321 [Na+].[Na+].Oc1ccc(Sc2c[nH]c3c2nc[nH]c3=O)c(\C=C\P([O-])([O-])=O)c1 InChI=1S/C14H12N3O5PS.2Na/c18-9-1-2-10(8(5-9)3-4-23(20,21)22)24-11-6-15-13-12(11)16-7-17-14(13)19;;/h1-7,15,18H,(H,16,17,19)(H2,20,21,22);;/q;2*+1/p-2/b4-3+;; ZZFOPDXXVBGARF-CZEFNJPISA-L 50621909 CHEMBL5408054 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 26 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621909 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621909&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546322 [Na+].[Na+].COc1ccc(Sc2c[nH]c3c2nc[nH]c3=O)c(\C=C\P([O-])([O-])=O)c1 InChI=1S/C15H14N3O5PS.2Na/c1-23-10-2-3-11(9(6-10)4-5-24(20,21)22)25-12-7-16-14-13(12)17-8-18-15(14)19;;/h2-8,16H,1H3,(H,17,18,19)(H2,20,21,22);;/q;2*+1/p-2/b5-4+;; GOBIRGKQQSVRIR-SFKRKKMESA-L 50621910 CHEMBL5404279 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 7.0 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621910 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621910&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546323 [Na+].[Na+].CC(C)Oc1ccc(Sc2c[nH]c3c2nc[nH]c3=O)c(\C=C\P([O-])([O-])=O)c1 InChI=1S/C17H18N3O5PS.2Na/c1-10(2)25-12-3-4-13(11(7-12)5-6-26(22,23)24)27-14-8-18-16-15(14)19-9-20-17(16)21;;/h3-10,18H,1-2H3,(H,19,20,21)(H2,22,23,24);;/q;2*+1/p-2/b6-5+;; IVNSAEBFNNPXFX-TXOOBNKBSA-L 50621911 CHEMBL5424391 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 4.0 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621911 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621911&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546324 [Na+].[Na+].[O-]P([O-])(=O)\C=C\c1cc(Oc2c(F)c(F)c(F)c(F)c2F)ccc1Sc1c[nH]c2c1nc[nH]c2=O InChI=1S/C20H11F5N3O5PS.2Na/c21-12-13(22)15(24)19(16(25)14(12)23)33-9-1-2-10(8(5-9)3-4-34(30,31)32)35-11-6-26-18-17(11)27-7-28-20(18)29;;/h1-7,26H,(H,27,28,29)(H2,30,31,32);;/q;2*+1/p-2/b4-3+;; DFXOCZXITZRIFY-CZEFNJPISA-L 50621912 CHEMBL5408135 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 25 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621912&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546325 [Na+].[Na+].[O-]P([O-])(=O)\C=C\c1cc(OCc2c(F)c(F)c(F)c(F)c2F)ccc1Sc1c[nH]c2c1nc[nH]c2=O InChI=1S/C21H13F5N3O5PS.2Na/c22-14-11(15(23)17(25)18(26)16(14)24)7-34-10-1-2-12(9(5-10)3-4-35(31,32)33)36-13-6-27-20-19(13)28-8-29-21(20)30;;/h1-6,8,27H,7H2,(H,28,29,30)(H2,31,32,33);;/q;2*+1/p-2/b4-3+;; VUWPVSBSQQUOAG-CZEFNJPISA-L 50621913 CHEMBL5418951 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 118 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621913 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621913&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546326 [Na+].[Na+].Oc1cccc(Sc2c[nH]c3c2nc[nH]c3=O)c1\C=C\P([O-])([O-])=O InChI=1S/C14H12N3O5PS.2Na/c18-9-2-1-3-10(8(9)4-5-23(20,21)22)24-11-6-15-13-12(11)16-7-17-14(13)19;;/h1-7,15,18H,(H,16,17,19)(H2,20,21,22);;/q;2*+1/p-2/b5-4+;; KJEDJEHDFQNZDC-SFKRKKMESA-L 50621914 CHEMBL5403757 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 145 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621914 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621914&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546327 [Na+].[Na+].[O-]P([O-])(=O)\C=C\c1cc(Oc2c(F)c(F)c(F)c(F)c2F)ccc1Sc1c[nH]c2c1nc[nH]c2=O InChI=1S/C20H11F5N3O5PS.2Na/c21-12-13(22)15(24)19(16(25)14(12)23)33-9-1-2-10(8(5-9)3-4-34(30,31)32)35-11-6-26-18-17(11)27-7-28-20(18)29;;/h1-7,26H,(H,27,28,29)(H2,30,31,32);;/q;2*+1/p-2/b4-3+;; DFXOCZXITZRIFY-CZEFNJPISA-L 50621912 CHEMBL5408135 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 19 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621912 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621912&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546328 [Na+].[Na+].CC(C)Oc1cccc(Sc2c[nH]c3c2nc[nH]c3=O)c1\C=C\P([O-])([O-])=O InChI=1S/C17H18N3O5PS.2Na/c1-10(2)25-12-4-3-5-13(11(12)6-7-26(22,23)24)27-14-8-18-16-15(14)19-9-20-17(16)21;;/h3-10,18H,1-2H3,(H,19,20,21)(H2,22,23,24);;/q;2*+1/p-2/b7-6+;; OPZJOTUKQWPFHU-KMXZHCNGSA-L 50621915 CHEMBL5434022 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 33 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621915 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621915&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546329 [Na+].[Na+].[O-]P([O-])(=O)\C=C\c1c(Oc2c(F)c(F)c(F)c(F)c2F)cccc1Sc1c[nH]c2c1nc[nH]c2=O InChI=1S/C20H11F5N3O5PS.2Na/c21-12-13(22)15(24)19(16(25)14(12)23)33-9-2-1-3-10(8(9)4-5-34(30,31)32)35-11-6-26-18-17(11)27-7-28-20(18)29;;/h1-7,26H,(H,27,28,29)(H2,30,31,32);;/q;2*+1/p-2/b5-4+;; CBIDXKYBOHPUDZ-SFKRKKMESA-L 50621916 CHEMBL5434152 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 12 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621916 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621916&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546330 [Na+].[Na+].[O-]P([O-])(=O)\C=C\c1c(OCc2c(F)c(F)c(F)c(F)c2F)cccc1Sc1c[nH]c2c1nc[nH]c2=O InChI=1S/C21H13F5N3O5PS.2Na/c22-14-10(15(23)17(25)18(26)16(14)24)7-34-11-2-1-3-12(9(11)4-5-35(31,32)33)36-13-6-27-20-19(13)28-8-29-21(20)30;;/h1-6,8,27H,7H2,(H,28,29,30)(H2,31,32,33);;/q;2*+1/p-2/b5-4+;; ZZINFWMDJYYVGU-SFKRKKMESA-L 50621917 CHEMBL5441032 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 19 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621917 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621917&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546331 [Na+].[Na+].[O-]P([O-])(=O)\C=C\c1ccc(Br)cc1Sc1c[nH]c2c1nc[nH]c2=O InChI=1S/C14H11BrN3O4PS.2Na/c15-9-2-1-8(3-4-23(20,21)22)10(5-9)24-11-6-16-13-12(11)17-7-18-14(13)19;;/h1-7,16H,(H,17,18,19)(H2,20,21,22);;/q;2*+1/p-2/b4-3+;; SWXCUSHHARJWFD-CZEFNJPISA-L 50621918 CHEMBL5418557 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 52 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621918 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621918&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546332 [Na+].[Na+].[O-]P([O-])(=O)\C=C\c1cc(Br)ccc1Sc1c[nH]c2c1nc[nH]c2=O InChI=1S/C14H11BrN3O4PS.2Na/c15-9-1-2-10(8(5-9)3-4-23(20,21)22)24-11-6-16-13-12(11)17-7-18-14(13)19;;/h1-7,16H,(H,17,18,19)(H2,20,21,22);;/q;2*+1/p-2/b4-3+;; QWGSBQIYLPVBRG-CZEFNJPISA-L 50621919 CHEMBL5419057 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 30 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621919 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621919&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546333 [Na+].[Na+].[O-]P([O-])(=O)COc1ccc(F)cc1Sc1c[nH]c2c1nc[nH]c2=O InChI=1S/C13H11FN3O5PS.2Na/c14-7-1-2-8(22-6-23(19,20)21)9(3-7)24-10-4-15-12-11(10)16-5-17-13(12)18;;/h1-5,15H,6H2,(H,16,17,18)(H2,19,20,21);;/q;2*+1/p-2 GYDVYNLGPVNMIL-UHFFFAOYSA-L 50621920 CHEMBL5428102 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 20 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621920 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621920&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546334 [Na+].[Na+].COc1cccc(Sc2c[nH]c3c2nc[nH]c3=O)c1OCP([O-])([O-])=O InChI=1S/C14H14N3O6PS.2Na/c1-22-8-3-2-4-9(13(8)23-7-24(19,20)21)25-10-5-15-12-11(10)16-6-17-14(12)18;;/h2-6,15H,7H2,1H3,(H,16,17,18)(H2,19,20,21);;/q;2*+1/p-2 DJJLFNSEPFGNCN-UHFFFAOYSA-L 50621921 CHEMBL5409546 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 33 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621921 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621921&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546335 CC(C)OC(=O)[C@H](C)NP(=O)(COc1ccccc1Sc1c[nH]c2c1nc[nH]c2=O)Oc1ccccc1 InChI=1S/C25H27N4O6PS/c1-16(2)34-25(31)17(3)29-36(32,35-18-9-5-4-6-10-18)15-33-19-11-7-8-12-20(19)37-21-13-26-23-22(21)27-14-28-24(23)30/h4-14,16-17,26H,15H2,1-3H3,(H,29,32)(H,27,28,30)/t17-,36?/m0/s1 ZFVDTHDLRDQIEB-ZSDANQQFSA-N 50621922 CHEMBL5400769 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) >10000 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621922 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621922&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546336 CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(COc1ccccc1Sc1c[nH]c2c1nc[nH]c2=O)Oc1ccccc1 InChI=1S/C31H31N4O6PS/c1-21(2)40-31(37)24(17-22-11-5-3-6-12-22)35-42(38,41-23-13-7-4-8-14-23)20-39-25-15-9-10-16-26(25)43-27-18-32-29-28(27)33-19-34-30(29)36/h3-16,18-19,21,24,32H,17,20H2,1-2H3,(H,35,38)(H,33,34,36)/t24-,42?/m0/s1 BVYSAJGDEWBUHX-VSCLHSHSSA-N 50621923 CHEMBL5422750 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) >10000 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621923 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621923&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546337 CC(C)OC(=O)[C@H](C)NP(=O)(COc1ccccc1Sc1c[nH]c2c1nc[nH]c2=O)N[C@@H](C)C(=O)OC(C)C InChI=1S/C25H34N5O7PS/c1-14(2)36-24(32)16(5)29-38(34,30-17(6)25(33)37-15(3)4)13-35-18-9-7-8-10-19(18)39-20-11-26-22-21(20)27-12-28-23(22)31/h7-12,14-17,26H,13H2,1-6H3,(H,27,28,31)(H2,29,30,34)/t16-,17-/m0/s1 WFBITSLIPMONLQ-IRXDYDNUSA-N 50621924 CHEMBL5437632 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) >10000 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621924 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621924&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546338 CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(COc1ccccc1Sc1c[nH]c2c1nc[nH]c2=O)N[C@@H](Cc1ccccc1)C(O)=O InChI=1S/C34H36N5O7PS/c1-22(2)46-34(43)26(18-24-13-7-4-8-14-24)39-47(44,38-25(33(41)42)17-23-11-5-3-6-12-23)21-45-27-15-9-10-16-28(27)48-29-19-35-31-30(29)36-20-37-32(31)40/h3-16,19-20,22,25-26,35H,17-18,21H2,1-2H3,(H,41,42)(H,36,37,40)(H2,38,39,44)/t25-,26-,47?/m0/s1 WNLLYYAVRNAOLU-KXDXSHKGSA-N 50621925 CHEMBL5399819 Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) >10000 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50621925 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50621925&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538 51546339 OC[C@H]1N[C@H]([C@H](O)[C@@H]1O)c1c[nH]c2c1nc[nH]c2=O InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1 IWKXDMQDITUYRK-KUBHLMPHSA-N 50195587 1,4-DIDEOXY-4-AZA-1-(S)-(9-DEAZAHYPOXANTHIN-9-YL)-D-RIBITOL::7-((2S,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one::CHEMBL1213652::CHEMBL218291::Immucillin-H Purine nucleoside phosphorylase Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) 42 ChEMBL 10.1021/acs.jmedchem.2c02097 10.7270/Q2PN9B1C 37134237 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50195587 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50006311&target=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50195587&enzyme=Purine+nucleoside+phosphorylase&column=ki&startPg=0&Increment=50&submit=Search IMH 2Q7O,3MB8,1RR6,1G2O,2ON6,2FF2,1B8O,8SWT,6ZK5,6ZK2,2FF1,1NW4,1RT9,8SWU,3B9G,8PQP,8DB8,3FOW,1PF7,2OC9,2OC4 444499 104077585 43362 CHEMBL1213652CHEMBL218291 ZINC13492899 1 MADPRPDPDELARRAAQVIADRTGIGEHDVAVVLGSGWLPAVAALGSPTTVLPQAELPGFVPPTAAGHAGELLSVPIGAHRVLVLAGRIHAYEGHDLRYVVHPVRAARAAGAQIMVLTNAAGGLRADLQVGQPVLISDHLNLTARSPLVGGEFVDLTDAYSPRLRELARQSDPQLAEGVYAGLPGPHYETPAEIRMLQTLGADLVGMSTVHETIAARAAGAEVLGVSLVTNLAAGITGEPLSHAEVLAAGAASATRMGALLADVIARF 3SCZ,3IX2,3IOM,1N3I,1I80,1G2O Purine nucleoside phosphorylase PUNA_MYCTU P9WP01 L0TDR7 O53359 P0A538