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 50590345 Oc1c2SCCc2nn1-c1ccccc1C(F)(F)F InChI=1S/C12H9F3N2OS/c13-12(14,15)7-3-1-2-4-9(7)17-11(18)10-8(16-17)5-6-19-10/h1-4,18H,5-6H2 MPJKSUNGZZDAED-UHFFFAOYSA-N 50221028 CHEMBL87044 UDP-N-acetylenolpyruvoylglucosamine reductase >87300 ChEMBL 10.1016/s0960-894x(03)00471-2 10.7270/Q20P126D 12852973 Li, Z; Francisco, GD; Hu, W; Labthavikul, P; Petersen, PJ; Severin, A; Singh, G; Yang, Y; Rasmussen, BA; Lin, YI; Skotnicki, JS; Mansour, TS Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221028 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221028&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 44320915 377007905 CHEMBL87044 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50590350 Oc1c2SC(Cc2nn1-c1ccc(Cl)cc1)c1ccccc1 InChI=1S/C17H13ClN2OS/c18-12-6-8-13(9-7-12)20-17(21)16-14(19-20)10-15(22-16)11-4-2-1-3-5-11/h1-9,15,21H,10H2 HLRCIDIFYLFJLS-UHFFFAOYSA-N 50221025 CHEMBL83021 UDP-N-acetylenolpyruvoylglucosamine reductase 33400 ChEMBL 10.1016/s0960-894x(03)00471-2 10.7270/Q20P126D 12852973 Li, Z; Francisco, GD; Hu, W; Labthavikul, P; Petersen, PJ; Severin, A; Singh, G; Yang, Y; Rasmussen, BA; Lin, YI; Skotnicki, JS; Mansour, TS Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221025 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221025&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 44320844 377007902 CHEMBL83021 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50590351 Oc1c2SCCc2nn1-c1cccc(Cl)c1 InChI=1S/C11H9ClN2OS/c12-7-2-1-3-8(6-7)14-11(15)10-9(13-14)4-5-16-10/h1-3,6,15H,4-5H2 YEZZCYIHKSMSGX-UHFFFAOYSA-N 50221022 CHEMBL86525 UDP-N-acetylenolpyruvoylglucosamine reductase >98900 ChEMBL 10.1016/s0960-894x(03)00471-2 10.7270/Q20P126D 12852973 Li, Z; Francisco, GD; Hu, W; Labthavikul, P; Petersen, PJ; Severin, A; Singh, G; Yang, Y; Rasmussen, BA; Lin, YI; Skotnicki, JS; Mansour, TS Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221022 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221022&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 44320925 377007899 CHEMBL86525 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50590353 Oc1c2SCCc2nn1-c1cccc(c1)[N+]([O-])=O InChI=1S/C11H9N3O3S/c15-11-10-9(4-5-18-10)12-13(11)7-2-1-3-8(6-7)14(16)17/h1-3,6,15H,4-5H2 QMTHROREMBHBGV-UHFFFAOYSA-N 50221032 CHEMBL86526 UDP-N-acetylenolpyruvoylglucosamine reductase 23500 ChEMBL 10.1016/s0960-894x(03)00471-2 10.7270/Q20P126D 12852973 Li, Z; Francisco, GD; Hu, W; Labthavikul, P; Petersen, PJ; Severin, A; Singh, G; Yang, Y; Rasmussen, BA; Lin, YI; Skotnicki, JS; Mansour, TS Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221032 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221032&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 44320926 377007909 CHEMBL86526 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50590355 Oc1c2SCCc2nn1-c1ccc(cc1)C(F)(F)F InChI=1S/C12H9F3N2OS/c13-12(14,15)7-1-3-8(4-2-7)17-11(18)10-9(16-17)5-6-19-10/h1-4,18H,5-6H2 YCVDPACPXUTBOO-UHFFFAOYSA-N 50221020 CHEMBL87126 UDP-N-acetylenolpyruvoylglucosamine reductase 38400 ChEMBL 10.1016/s0960-894x(03)00471-2 10.7270/Q20P126D 12852973 Li, Z; Francisco, GD; Hu, W; Labthavikul, P; Petersen, PJ; Severin, A; Singh, G; Yang, Y; Rasmussen, BA; Lin, YI; Skotnicki, JS; Mansour, TS Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221020 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221020&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 9971216 377007897 CHEMBL87126 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50590356 Oc1c2[S+]([O-])CCc2nn1-c1ccc(Cl)c(Cl)c1 InChI=1S/C11H8Cl2N2O2S/c12-7-2-1-6(5-8(7)13)15-11(16)10-9(14-15)3-4-18(10)17/h1-2,5,16H,3-4H2 VVJWQWZLXLRFRP-UHFFFAOYSA-N 50221034 CHEMBL87428 UDP-N-acetylenolpyruvoylglucosamine reductase 65900 ChEMBL 10.1016/s0960-894x(03)00471-2 10.7270/Q20P126D 12852973 Li, Z; Francisco, GD; Hu, W; Labthavikul, P; Petersen, PJ; Severin, A; Singh, G; Yang, Y; Rasmussen, BA; Lin, YI; Skotnicki, JS; Mansour, TS Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221034 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221034&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 44320789 377007911 CHEMBL87428 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50590357 Oc1c2SCCc2nn1-c1ccc(F)cc1 InChI=1S/C11H9FN2OS/c12-7-1-3-8(4-2-7)14-11(15)10-9(13-14)5-6-16-10/h1-4,15H,5-6H2 AMIPLHDODVPLEL-UHFFFAOYSA-N 50221035 CHEMBL86990 UDP-N-acetylenolpyruvoylglucosamine reductase 50700 ChEMBL 10.1016/s0960-894x(03)00471-2 10.7270/Q20P126D 12852973 Li, Z; Francisco, GD; Hu, W; Labthavikul, P; Petersen, PJ; Severin, A; Singh, G; Yang, Y; Rasmussen, BA; Lin, YI; Skotnicki, JS; Mansour, TS Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221035 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221035&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 9991708 377007912 CHEMBL86990 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50590361 Oc1c2SCCc2nn1-c1ccccc1 InChI=1S/C11H10N2OS/c14-11-10-9(6-7-15-10)12-13(11)8-4-2-1-3-5-8/h1-5,14H,6-7H2 QPIOQQGEZUTTHO-UHFFFAOYSA-N 50221029 CHEMBL87821 UDP-N-acetylenolpyruvoylglucosamine reductase >114000 ChEMBL 10.1016/s0960-894x(03)00471-2 10.7270/Q20P126D 12852973 Li, Z; Francisco, GD; Hu, W; Labthavikul, P; Petersen, PJ; Severin, A; Singh, G; Yang, Y; Rasmussen, BA; Lin, YI; Skotnicki, JS; Mansour, TS Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221029 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221029&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 44320803 377007906 CHEMBL87821 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50590362 Oc1c2SCCc2nn1-c1ccc(cc1)[N+]([O-])=O InChI=1S/C11H9N3O3S/c15-11-10-9(5-6-18-10)12-13(11)7-1-3-8(4-2-7)14(16)17/h1-4,15H,5-6H2 UUIUKNZAYOJRKN-UHFFFAOYSA-N 50221030 CHEMBL313078 UDP-N-acetylenolpyruvoylglucosamine reductase 21200 ChEMBL 10.1016/s0960-894x(03)00471-2 10.7270/Q20P126D 12852973 Li, Z; Francisco, GD; Hu, W; Labthavikul, P; Petersen, PJ; Severin, A; Singh, G; Yang, Y; Rasmussen, BA; Lin, YI; Skotnicki, JS; Mansour, TS Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221030 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221030&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 44320928 377007907 CHEMBL313078 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50590366 Oc1c2SCCc2nn1-c1cccc(c1)C#N InChI=1S/C12H9N3OS/c13-7-8-2-1-3-9(6-8)15-12(16)11-10(14-15)4-5-17-11/h1-3,6,16H,4-5H2 FSVRZNNRTWZXNC-UHFFFAOYSA-N 50221027 CHEMBL327438 UDP-N-acetylenolpyruvoylglucosamine reductase 57500 ChEMBL 10.1016/s0960-894x(03)00471-2 10.7270/Q20P126D 12852973 Li, Z; Francisco, GD; Hu, W; Labthavikul, P; Petersen, PJ; Severin, A; Singh, G; Yang, Y; Rasmussen, BA; Lin, YI; Skotnicki, JS; Mansour, TS Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221027 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221027&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 44320944 377007904 CHEMBL327438 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50590373 CC(C)c1ccc(cc1)-n1nc2CCSc2c1O InChI=1S/C14H16N2OS/c1-9(2)10-3-5-11(6-4-10)16-14(17)13-12(15-16)7-8-18-13/h3-6,9,17H,7-8H2,1-2H3 GEMHDIQHMOFDDN-UHFFFAOYSA-N 50221031 CHEMBL315456 UDP-N-acetylenolpyruvoylglucosamine reductase >96000 ChEMBL 10.1016/s0960-894x(03)00471-2 10.7270/Q20P126D 12852973 Li, Z; Francisco, GD; Hu, W; Labthavikul, P; Petersen, PJ; Severin, A; Singh, G; Yang, Y; Rasmussen, BA; Lin, YI; Skotnicki, JS; Mansour, TS Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221031 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221031&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 44320932 377007908 CHEMBL315456 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50590376 Oc1c2SCCc2nn1-c1cc(cc(c1)C(F)(F)F)C(F)(F)F InChI=1S/C13H8F6N2OS/c14-12(15,16)6-3-7(13(17,18)19)5-8(4-6)21-11(22)10-9(20-21)1-2-23-10/h3-5,22H,1-2H2 LXSJWKBXINRCBS-UHFFFAOYSA-N 50221026 CHEMBL89482 UDP-N-acetylenolpyruvoylglucosamine reductase >70500 ChEMBL 10.1016/s0960-894x(03)00471-2 10.7270/Q20P126D 12852973 Li, Z; Francisco, GD; Hu, W; Labthavikul, P; Petersen, PJ; Severin, A; Singh, G; Yang, Y; Rasmussen, BA; Lin, YI; Skotnicki, JS; Mansour, TS Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221026 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221026&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 44320954 377007903 CHEMBL89482 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50590374 Oc1c2CSCCc2nn1-c1ccc(cc1)[N+]([O-])=O InChI=1S/C12H11N3O3S/c16-12-10-7-19-6-5-11(10)13-14(12)8-1-3-9(4-2-8)15(17)18/h1-4,16H,5-7H2 YQMDWPNJFAVXPL-UHFFFAOYSA-N 50221039 CHEMBL88099 UDP-N-acetylenolpyruvoylglucosamine reductase >90100 ChEMBL 10.1016/s0960-894x(03)00471-2 10.7270/Q20P126D 12852973 Li, Z; Francisco, GD; Hu, W; Labthavikul, P; Petersen, PJ; Severin, A; Singh, G; Yang, Y; Rasmussen, BA; Lin, YI; Skotnicki, JS; Mansour, TS Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221039 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221039&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 44320819 377007916 CHEMBL88099 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50590380 Oc1c2CSCc2nn1-c1ccc(Cl)c(Cl)c1 InChI=1S/C11H8Cl2N2OS/c12-8-2-1-6(3-9(8)13)15-11(16)7-4-17-5-10(7)14-15/h1-3,16H,4-5H2 SXKMYYOBKFYUQB-UHFFFAOYSA-N 50221040 CHEMBL83020 UDP-N-acetylenolpyruvoylglucosamine reductase >87000 ChEMBL 10.1016/s0960-894x(03)00471-2 10.7270/Q20P126D 12852973 Li, Z; Francisco, GD; Hu, W; Labthavikul, P; Petersen, PJ; Severin, A; Singh, G; Yang, Y; Rasmussen, BA; Lin, YI; Skotnicki, JS; Mansour, TS Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221040 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221040&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 44320843 377007917 CHEMBL83020 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50590392 Oc1c2SCCc2nn1-c1cccc(c1)C(F)(F)F InChI=1S/C12H9F3N2OS/c13-12(14,15)7-2-1-3-8(6-7)17-11(18)10-9(16-17)4-5-19-10/h1-3,6,18H,4-5H2 XQFODKIJLDAHQZ-UHFFFAOYSA-N 50221036 CHEMBL315316 UDP-N-acetylenolpyruvoylglucosamine reductase 73300 ChEMBL 10.1016/s0960-894x(03)00471-2 10.7270/Q20P126D 12852973 Li, Z; Francisco, GD; Hu, W; Labthavikul, P; Petersen, PJ; Severin, A; Singh, G; Yang, Y; Rasmussen, BA; Lin, YI; Skotnicki, JS; Mansour, TS Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221036 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221036&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 10424092 377007913 CHEMBL315316 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50590393 Oc1c2SCCc2nn1-c1ccc(Cl)c(Cl)c1 InChI=1S/C11H8Cl2N2OS/c12-7-2-1-6(5-8(7)13)15-11(16)10-9(14-15)3-4-17-10/h1-2,5,16H,3-4H2 KCJITIAFGLRTDX-UHFFFAOYSA-N 50221038 CHEMBL87521 UDP-N-acetylenolpyruvoylglucosamine reductase 38300 ChEMBL 10.1016/s0960-894x(03)00471-2 10.7270/Q20P126D 12852973 Li, Z; Francisco, GD; Hu, W; Labthavikul, P; Petersen, PJ; Severin, A; Singh, G; Yang, Y; Rasmussen, BA; Lin, YI; Skotnicki, JS; Mansour, TS Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221038 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221038&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 44320786 377007915 CHEMBL87521 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50590395 NC(=O)c1cccc(c1)-n1nc2CCSc2c1O InChI=1S/C12H11N3O2S/c13-11(16)7-2-1-3-8(6-7)15-12(17)10-9(14-15)4-5-18-10/h1-3,6,17H,4-5H2,(H2,13,16) PJMKRIKVCRFJAW-UHFFFAOYSA-N 50221033 CHEMBL420601 UDP-N-acetylenolpyruvoylglucosamine reductase >95600 ChEMBL 10.1016/s0960-894x(03)00471-2 10.7270/Q20P126D 12852973 Li, Z; Francisco, GD; Hu, W; Labthavikul, P; Petersen, PJ; Severin, A; Singh, G; Yang, Y; Rasmussen, BA; Lin, YI; Skotnicki, JS; Mansour, TS Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221033 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221033&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 44320924 377007910 CHEMBL420601 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 245693 CCOC(=O)C(=NNc1cccc(c1)C(F)(F)F)C1=Nc2ccccc2SC1 InChI=1S/C19H16F3N3O2S/c1-2-27-18(26)17(15-11-28-16-9-4-3-8-14(16)23-15)25-24-13-7-5-6-12(10-13)19(20,21)22/h3-10,24H,2,11H2,1H3 CTLWSEQXMRFGBI-UHFFFAOYSA-N 119078 MurB inhibitor (compound 15) UDP-N-acetylenolpyruvoylglucosamine reductase 1.4e+2 Curated from the literature by BindingDB 10.1016/j.bioorg.2014.03.008 10.7270/Q2ZG6QWR 24755374 Hrast, M; Sosic, I; Sink, R; Gobec, S University of Ljubljana, Aškerceva 7, 1000 Ljubljana, Slovenia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=119078 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=119078&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 84972990 220229899 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 245694 FC(F)(F)c1nnc(SC(=O)c2ccc(o2)C#Cc2ccccc2)[nH]1 InChI=1S/C16H8F3N3O2S/c17-16(18,19)14-20-15(22-21-14)25-13(23)12-9-8-11(24-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H,20,21,22) VNGWUVBXUIDQTK-UHFFFAOYSA-N 11304 Compound 2 analog 15::MurB inhibitor (compound 16)::[5-(2-phenylethynyl)furan-2-yl]({[5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]sulfanyl})methanone::acs.jmedchem.1c00409_ST.327::med.21724, Compound 148 UDP-N-acetylenolpyruvoylglucosamine reductase 1.7e+2 Curated from the literature by BindingDB 10.1016/j.bioorg.2014.03.008 10.7270/Q2ZG6QWR 24755374 Hrast, M; Sosic, I; Sink, R; Gobec, S University of Ljubljana, Aškerceva 7, 1000 Ljubljana, Slovenia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=11304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=11304&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search F3F 2GZ8 2822496 46511851 42403 DB07743 ZINC01039846 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 245696 Fc1ccc(C(=O)CC2(CC(=O)c3ccc(F)cc3F)C(=O)N(N(C2=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(F)c1 InChI=1S/C31H18Cl2F4N2O4/c32-17-1-7-21(8-2-17)38-29(42)31(15-27(40)23-11-5-19(34)13-25(23)36,16-28(41)24-12-6-20(35)14-26(24)37)30(43)39(38)22-9-3-18(33)4-10-22/h1-14H,15-16H2 YDBQQPRWAHHCPH-UHFFFAOYSA-N 50166485 1,2-Bis-(4-chloro-phenyl)-4,4-bis-[2-(2,4-difluoro-phenyl)-2-oxo-ethyl]-pyrazolidine-3,5-dione::CHEMBL363799::MurB inhibitor (compound 17) UDP-N-acetylenolpyruvoylglucosamine reductase 5.2e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2014.03.008 10.7270/Q2ZG6QWR 24755374 Hrast, M; Sosic, I; Sink, R; Gobec, S University of Ljubljana, Aškerceva 7, 1000 Ljubljana, Slovenia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166485&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 11273626 104051943 CHEMBL363799 ZINC28475465 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 245698 CC1(CC(=O)Nc2ccc(Cl)cc2Cl)C(=O)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 InChI=1S/C24H17Cl4N3O3/c1-24(13-21(32)29-20-11-6-16(27)12-19(20)28)22(33)30(17-7-2-14(25)3-8-17)31(23(24)34)18-9-4-15(26)5-10-18/h2-12H,13H2,1H3,(H,29,32) PUUKKGQJGNZKNE-UHFFFAOYSA-N 119079 MurB inhibitor (compound 18) UDP-N-acetylenolpyruvoylglucosamine reductase 4.3e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2014.03.008 10.7270/Q2ZG6QWR 24755374 Hrast, M; Sosic, I; Sink, R; Gobec, S University of Ljubljana, Aškerceva 7, 1000 Ljubljana, Slovenia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=119079 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=119079&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 84972991 220229900 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 245701 [O-][N+](=O)c1cnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 InChI=1S/C10H6Cl2N4O3S/c11-6-2-1-5(3-7(6)12)14-9(17)15-10-13-4-8(20-10)16(18)19/h1-4H,(H2,13,14,15,17) PQSHNLHSNRWFDA-UHFFFAOYSA-N 119080 MurB inhibitor (compound 19) UDP-N-acetylenolpyruvoylglucosamine reductase 3.0e+3 Curated from the literature by BindingDB 10.1016/j.bioorg.2014.03.008 10.7270/Q2ZG6QWR 24755374 Hrast, M; Sosic, I; Sink, R; Gobec, S University of Ljubljana, Aškerceva 7, 1000 Ljubljana, Slovenia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=119080 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=119080&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 4151748 220229901 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 245756 FC(F)(F)c1ccc(cc1)C1C(=O)OC(=Cc2cccc3ccccc23)C1=O InChI=1S/C22H13F3O3/c23-22(24,25)16-10-8-14(9-11-16)19-20(26)18(28-21(19)27)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12,19H WFCYJZVSLSQHCL-UHFFFAOYSA-N 119122 MurA/B/C/D/E inhibitor (compound 67) UDP-N-acetylenolpyruvoylglucosamine reductase 1.3e+4 Curated from the literature by BindingDB 10.1016/j.bioorg.2014.03.008 10.7270/Q2ZG6QWR 24755374 Hrast, M; Sosic, I; Sink, R; Gobec, S University of Ljubljana, Aškerceva 7, 1000 Ljubljana, Slovenia http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=119122 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=119122&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 91899748 220229938 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50590383 Oc1c2SCCc2nn1-c1ccc(Br)cc1 InChI=1S/C11H9BrN2OS/c12-7-1-3-8(4-2-7)14-11(15)10-9(13-14)5-6-16-10/h1-4,15H,5-6H2 YJUYHUKZHDBCAG-UHFFFAOYSA-N 50221037 CHEMBL87262 UDP-N-acetylenolpyruvoylglucosamine reductase 12100 ChEMBL 10.1016/s0960-894x(03)00471-2 10.7270/Q20P126D 12852973 Li, Z; Francisco, GD; Hu, W; Labthavikul, P; Petersen, PJ; Severin, A; Singh, G; Yang, Y; Rasmussen, BA; Lin, YI; Skotnicki, JS; Mansour, TS Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221037 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221037&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 10266626 377007914 CHEMBL87262 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50590384 Oc1c2COCc2nn1-c1ccc(Cl)cc1 InChI=1S/C11H9ClN2O2/c12-7-1-3-8(4-2-7)14-11(15)9-5-16-6-10(9)13-14/h1-4,15H,5-6H2 USAPWTXREZBRNI-UHFFFAOYSA-N 50221041 CHEMBL83458 UDP-N-acetylenolpyruvoylglucosamine reductase >105000 ChEMBL 10.1016/s0960-894x(03)00471-2 10.7270/Q20P126D 12852973 Li, Z; Francisco, GD; Hu, W; Labthavikul, P; Petersen, PJ; Severin, A; Singh, G; Yang, Y; Rasmussen, BA; Lin, YI; Skotnicki, JS; Mansour, TS Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221041 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221041&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 44320835 377007918 CHEMBL83458 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50590388 Oc1c2CSCc2nn1-c1ccc(Cl)cc1 InChI=1S/C11H9ClN2OS/c12-7-1-3-8(4-2-7)14-11(15)9-5-16-6-10(9)13-14/h1-4,15H,5-6H2 AOLSNQDPMOXYEQ-UHFFFAOYSA-N 50221042 CHEMBL83515 UDP-N-acetylenolpyruvoylglucosamine reductase 830000 ChEMBL 10.1016/s0960-894x(03)00471-2 10.7270/Q20P126D 12852973 Li, Z; Francisco, GD; Hu, W; Labthavikul, P; Petersen, PJ; Severin, A; Singh, G; Yang, Y; Rasmussen, BA; Lin, YI; Skotnicki, JS; Mansour, TS Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221042 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221042&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 44320836 377007919 CHEMBL83515 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50307246 Oc1c(CCCCCCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 InChI=1S/C27H26Cl2N2O2/c28-21-12-16-23(17-13-21)30-26(32)25(27(33)31(30)24-18-14-22(29)15-19-24)11-7-2-1-4-8-20-9-5-3-6-10-20/h3,5-6,9-10,12-19,32H,1-2,4,7-8,11H2 VAPPOOQVJCKGHN-UHFFFAOYSA-N 50166478 1,2-Bis-(4-chloro-phenyl)-4-(6-phenyl-hexyl)-pyrazolidine-3,5-dione::CHEMBL373076 UDP-N-acetylenolpyruvoylglucosamine reductase 12000 ChEMBL 10.1016/j.bmcl.2005.03.058 10.7270/Q2BG2NHW 15863310 Kutterer, KM; Davis, JM; Singh, G; Yang, Y; Hu, W; Severin, A; Rasmussen, BA; Krishnamurthy, G; Failli, A; Katz, AH Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166478&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 91936759 104051936 CHEMBL373076 ZINC28477558 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50307248 CCN(CCc1c(O)n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O)Cc1ccccc1 InChI=1S/C26H25Cl2N3O2/c1-2-29(18-19-6-4-3-5-7-19)17-16-24-25(32)30(22-12-8-20(27)9-13-22)31(26(24)33)23-14-10-21(28)11-15-23/h3-15,32H,2,16-18H2,1H3 WDYMZIVSFUNCPS-UHFFFAOYSA-N 50166479 4-[2-(Benzyl-ethyl-amino)-ethyl]-1,2-bis-(4-chloro-phenyl)-pyrazolidine-3,5-dione::CHEMBL365523 UDP-N-acetylenolpyruvoylglucosamine reductase >50000 ChEMBL 10.1016/j.bmcl.2005.03.058 10.7270/Q2BG2NHW 15863310 Kutterer, KM; Davis, JM; Singh, G; Yang, Y; Hu, W; Severin, A; Rasmussen, BA; Krishnamurthy, G; Failli, A; Katz, AH Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166479&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 91936760 104051937 CHEMBL365523 ZINC28521433 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50307254 CC1(CCCCCCc2ccccc2)C(=O)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 InChI=1S/C28H28Cl2N2O2/c1-28(20-8-3-2-5-9-21-10-6-4-7-11-21)26(33)31(24-16-12-22(29)13-17-24)32(27(28)34)25-18-14-23(30)15-19-25/h4,6-7,10-19H,2-3,5,8-9,20H2,1H3 KTPYDYSZADMEGK-UHFFFAOYSA-N 50166484 1,2-Bis-(4-chloro-phenyl)-4-methyl-4-(6-phenyl-hexyl)-pyrazolidine-3,5-dione::CHEMBL189679 UDP-N-acetylenolpyruvoylglucosamine reductase >50000 ChEMBL 10.1016/j.bmcl.2005.03.058 10.7270/Q2BG2NHW 15863310 Kutterer, KM; Davis, JM; Singh, G; Yang, Y; Hu, W; Severin, A; Rasmussen, BA; Krishnamurthy, G; Failli, A; Katz, AH Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166484 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166484&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 44400303 104051942 CHEMBL189679 ZINC28471752 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50307263 CC1(CC(=O)c2ccc(F)cc2F)C(=O)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 InChI=1S/C24H16Cl2F2N2O3/c1-24(13-21(31)19-11-6-16(27)12-20(19)28)22(32)29(17-7-2-14(25)3-8-17)30(23(24)33)18-9-4-15(26)5-10-18/h2-12H,13H2,1H3 VGNXKLSJMRNWSC-UHFFFAOYSA-N 50166491 1,2-Bis-(4-chloro-phenyl)-4-[2-(2,4-difluoro-phenyl)-2-oxo-ethyl]-4-methyl-pyrazolidine-3,5-dione::CHEMBL362995 UDP-N-acetylenolpyruvoylglucosamine reductase >50000 ChEMBL 10.1016/j.bmcl.2005.03.058 10.7270/Q2BG2NHW 15863310 Kutterer, KM; Davis, JM; Singh, G; Yang, Y; Hu, W; Severin, A; Rasmussen, BA; Krishnamurthy, G; Failli, A; Katz, AH Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166491 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166491&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 44400564 104051949 CHEMBL362995 ZINC28520905 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50307268 Clc1ccc(cc1)N1N(C(=O)C(CCCCCCc2ccccc2)(CCCCCCc2ccccc2)C1=O)c1ccc(Cl)cc1 InChI=1S/C39H42Cl2N2O2/c40-33-21-25-35(26-22-33)42-37(44)39(38(45)43(42)36-27-23-34(41)24-28-36,29-13-3-1-7-15-31-17-9-5-10-18-31)30-14-4-2-8-16-32-19-11-6-12-20-32/h5-6,9-12,17-28H,1-4,7-8,13-16,29-30H2 YJJBMNIHQCUFAL-UHFFFAOYSA-N 50166475 1,2-Bis-(4-chloro-phenyl)-4,4-bis-(6-phenyl-hexyl)-pyrazolidine-3,5-dione::CHEMBL189528 UDP-N-acetylenolpyruvoylglucosamine reductase 8200.0 ChEMBL 10.1016/j.bmcl.2005.03.058 10.7270/Q2BG2NHW 15863310 Kutterer, KM; Davis, JM; Singh, G; Yang, Y; Hu, W; Severin, A; Rasmussen, BA; Krishnamurthy, G; Failli, A; Katz, AH Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166475 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166475&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 44400324 104051933 CHEMBL189528 ZINC28472470 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50307271 Oc1c(CCCCCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 InChI=1S/C26H24Cl2N2O2/c27-20-11-15-22(16-12-20)29-25(31)24(10-6-2-5-9-19-7-3-1-4-8-19)26(32)30(29)23-17-13-21(28)14-18-23/h1,3-4,7-8,11-18,31H,2,5-6,9-10H2 VECDVFAXLRCIFJ-UHFFFAOYSA-N 50166495 1,2-Bis-(4-chloro-phenyl)-4-(5-phenyl-pentyl)-pyrazolidine-3,5-dione::CHEMBL371841 UDP-N-acetylenolpyruvoylglucosamine reductase 32000 ChEMBL 10.1016/j.bmcl.2005.03.058 10.7270/Q2BG2NHW 15863310 Kutterer, KM; Davis, JM; Singh, G; Yang, Y; Hu, W; Severin, A; Rasmussen, BA; Krishnamurthy, G; Failli, A; Katz, AH Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166495 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166495&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 91936772 104051953 CHEMBL371841 ZINC28472114 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50307276 Oc1c(CCSCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 InChI=1S/C24H20Cl2N2O2S/c25-18-6-10-20(11-7-18)27-23(29)22(14-15-31-16-17-4-2-1-3-5-17)24(30)28(27)21-12-8-19(26)9-13-21/h1-13,29H,14-16H2 NJLGGKLWYUXNDD-UHFFFAOYSA-N 50166493 4-(2-Benzylsulfanyl-ethyl)-1,2-bis-(4-chloro-phenyl)-pyrazolidine-3,5-dione::CHEMBL365364 UDP-N-acetylenolpyruvoylglucosamine reductase 5100 ChEMBL 10.1016/j.bmcl.2005.03.058 10.7270/Q2BG2NHW 15863310 Kutterer, KM; Davis, JM; Singh, G; Yang, Y; Hu, W; Severin, A; Rasmussen, BA; Krishnamurthy, G; Failli, A; Katz, AH Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166493 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166493&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 91936770 104051951 CHEMBL365364 ZINC28520907 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50307284 Oc1c(CCOCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 InChI=1S/C24H20Cl2N2O3/c25-18-6-10-20(11-7-18)27-23(29)22(14-15-31-16-17-4-2-1-3-5-17)24(30)28(27)21-12-8-19(26)9-13-21/h1-13,29H,14-16H2 DADCULGLSCZGHG-UHFFFAOYSA-N 50166483 4-(2-Benzyloxy-ethyl)-1,2-bis-(4-chloro-phenyl)-pyrazolidine-3,5-dione::CHEMBL195732 UDP-N-acetylenolpyruvoylglucosamine reductase 11000 ChEMBL 10.1016/j.bmcl.2005.03.058 10.7270/Q2BG2NHW 15863310 Kutterer, KM; Davis, JM; Singh, G; Yang, Y; Hu, W; Severin, A; Rasmussen, BA; Krishnamurthy, G; Failli, A; Katz, AH Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166483&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 91936764 104051941 CHEMBL195732 ZINC28520814 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50307286 CC1C(OCC(=O)c2ccc(F)cc2F)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 InChI=1S/C24H18Cl2F2N2O3/c1-14-23(32)29(18-7-2-15(25)3-8-18)30(19-9-4-16(26)5-10-19)24(14)33-13-22(31)20-11-6-17(27)12-21(20)28/h2-12,14,24H,13H2,1H3 YQSUTKKEIQYKQE-UHFFFAOYSA-N 50166502 1,2-Bis-(4-chloro-phenyl)-5-[2-(2,4-difluoro-phenyl)-2-oxo-ethoxy]-4-methyl-pyrazolidin-3-one::CHEMBL363203 UDP-N-acetylenolpyruvoylglucosamine reductase >50000 ChEMBL 10.1016/j.bmcl.2005.03.058 10.7270/Q2BG2NHW 15863310 Kutterer, KM; Davis, JM; Singh, G; Yang, Y; Hu, W; Severin, A; Rasmussen, BA; Krishnamurthy, G; Failli, A; Katz, AH Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166502 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166502&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 44400556 104051960 CHEMBL363203 ZINC28521388 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50307289 Oc1c(CCCC(=O)c2ccc(F)cc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 InChI=1S/C25H19Cl2FN2O3/c26-17-6-12-20(13-7-17)29-24(32)22(25(33)30(29)21-14-8-18(27)9-15-21)2-1-3-23(31)16-4-10-19(28)11-5-16/h4-15,32H,1-3H2 VCBGYZYQHOUKNW-UHFFFAOYSA-N 50166497 1,2-Bis-(4-chloro-phenyl)-4-[4-(4-fluoro-phenyl)-4-oxo-butyl]-pyrazolidine-3,5-dione::CHEMBL370034 UDP-N-acetylenolpyruvoylglucosamine reductase 11000 ChEMBL 10.1016/j.bmcl.2005.03.058 10.7270/Q2BG2NHW 15863310 Kutterer, KM; Davis, JM; Singh, G; Yang, Y; Hu, W; Severin, A; Rasmussen, BA; Krishnamurthy, G; Failli, A; Katz, AH Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166497 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166497&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 91936774 104051955 CHEMBL370034 ZINC28521053 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50307292 Oc1c(Cc2ccccc2Cl)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 InChI=1S/C22H15Cl3N2O2/c23-15-5-9-17(10-6-15)26-21(28)19(13-14-3-1-2-4-20(14)25)22(29)27(26)18-11-7-16(24)8-12-18/h1-12,28H,13H2 BCHVBQFNKIHMGM-UHFFFAOYSA-N 50166476 4-(2-Chloro-benzyl)-1,2-bis-(4-chloro-phenyl)-pyrazolidine-3,5-dione::CHEMBL194333 UDP-N-acetylenolpyruvoylglucosamine reductase >50000 ChEMBL 10.1016/j.bmcl.2005.03.058 10.7270/Q2BG2NHW 15863310 Kutterer, KM; Davis, JM; Singh, G; Yang, Y; Hu, W; Severin, A; Rasmussen, BA; Krishnamurthy, G; Failli, A; Katz, AH Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166476&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 91936757 104051934 CHEMBL194333 ZINC28521812 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50307293 Clc1ccc(cc1)N1N(C(=O)C(CCOCc2ccccc2)(CCOCc2ccccc2)C1=O)c1ccc(Cl)cc1 InChI=1S/C33H30Cl2N2O4/c34-27-11-15-29(16-12-27)36-31(38)33(19-21-40-23-25-7-3-1-4-8-25,20-22-41-24-26-9-5-2-6-10-26)32(39)37(36)30-17-13-28(35)14-18-30/h1-18H,19-24H2 OKBSEDNINJGMAP-UHFFFAOYSA-N 50166499 4,4-Bis-(2-benzyloxy-ethyl)-1,2-bis-(4-chloro-phenyl)-pyrazolidine-3,5-dione::CHEMBL370703 UDP-N-acetylenolpyruvoylglucosamine reductase 7500 ChEMBL 10.1016/j.bmcl.2005.03.058 10.7270/Q2BG2NHW 15863310 Kutterer, KM; Davis, JM; Singh, G; Yang, Y; Hu, W; Severin, A; Rasmussen, BA; Krishnamurthy, G; Failli, A; Katz, AH Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166499 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166499&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 44400490 104051957 CHEMBL370703 ZINC28521051 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50307300 Oc1c(CC(=O)c2ccc(F)cc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 InChI=1S/C23H15Cl2FN2O3/c24-15-3-9-18(10-4-15)27-22(30)20(13-21(29)14-1-7-17(26)8-2-14)23(31)28(27)19-11-5-16(25)6-12-19/h1-12,30H,13H2 UWBXTEUTLIEZIW-UHFFFAOYSA-N 50166480 1,2-Bis-(4-chloro-phenyl)-4-[2-(4-fluoro-phenyl)-2-oxo-ethyl]-pyrazolidine-3,5-dione::CHEMBL193276 UDP-N-acetylenolpyruvoylglucosamine reductase 5200 ChEMBL 10.1016/j.bmcl.2005.03.058 10.7270/Q2BG2NHW 15863310 Kutterer, KM; Davis, JM; Singh, G; Yang, Y; Hu, W; Severin, A; Rasmussen, BA; Krishnamurthy, G; Failli, A; Katz, AH Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166480&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 91936761 104051938 CHEMBL193276 ZINC28476341 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50307305 Fc1ccc(C(=O)CC2(CC(=O)c3ccc(F)cc3F)C(=O)N(N(C2=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(F)c1 InChI=1S/C31H18Cl2F4N2O4/c32-17-1-7-21(8-2-17)38-29(42)31(15-27(40)23-11-5-19(34)13-25(23)36,16-28(41)24-12-6-20(35)14-26(24)37)30(43)39(38)22-9-3-18(33)4-10-22/h1-14H,15-16H2 YDBQQPRWAHHCPH-UHFFFAOYSA-N 50166485 1,2-Bis-(4-chloro-phenyl)-4,4-bis-[2-(2,4-difluoro-phenyl)-2-oxo-ethyl]-pyrazolidine-3,5-dione::CHEMBL363799::MurB inhibitor (compound 17) UDP-N-acetylenolpyruvoylglucosamine reductase 5200 ChEMBL 10.1016/j.bmcl.2005.03.058 10.7270/Q2BG2NHW 15863310 Kutterer, KM; Davis, JM; Singh, G; Yang, Y; Hu, W; Severin, A; Rasmussen, BA; Krishnamurthy, G; Failli, A; Katz, AH Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166485 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166485&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 11273626 104051943 CHEMBL363799 ZINC28475465 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50307308 Oc1c(Cc2ccc(cc2)C2(CC=CC=C2)C#N)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 InChI=1S/C29H21Cl2N3O2/c30-22-8-12-24(13-9-22)33-27(35)26(28(36)34(33)25-14-10-23(31)11-15-25)18-20-4-6-21(7-5-20)29(19-32)16-2-1-3-17-29/h1-16,35H,17-18H2 XUNFTDQIVZNADZ-UHFFFAOYSA-N 50166496 1-{4-[1,2-Bis-(4-chloro-phenyl)-3,5-dioxo-pyrazolidin-4-ylmethyl]-phenyl}-cyclohexa-2,4-dienecarbonitrile::CHEMBL195201 UDP-N-acetylenolpyruvoylglucosamine reductase 12000 ChEMBL 10.1016/j.bmcl.2005.03.058 10.7270/Q2BG2NHW 15863310 Kutterer, KM; Davis, JM; Singh, G; Yang, Y; Hu, W; Severin, A; Rasmussen, BA; Krishnamurthy, G; Failli, A; Katz, AH Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166496 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166496&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 91936773 104051954 CHEMBL195201 ZINC28521003 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50307309 Oc1c(CCC(=O)c2ccc(F)cc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 InChI=1S/C24H17Cl2FN2O3/c25-16-3-9-19(10-4-16)28-23(31)21(13-14-22(30)15-1-7-18(27)8-2-15)24(32)29(28)20-11-5-17(26)6-12-20/h1-12,31H,13-14H2 BJNNSZKJRSWOLU-UHFFFAOYSA-N 50166494 1,2-Bis-(4-chloro-phenyl)-4-[3-(4-fluoro-phenyl)-3-oxo-propyl]-pyrazolidine-3,5-dione::CHEMBL195098 UDP-N-acetylenolpyruvoylglucosamine reductase 18000 ChEMBL 10.1016/j.bmcl.2005.03.058 10.7270/Q2BG2NHW 15863310 Kutterer, KM; Davis, JM; Singh, G; Yang, Y; Hu, W; Severin, A; Rasmussen, BA; Krishnamurthy, G; Failli, A; Katz, AH Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166494 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166494&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 91936771 104051952 CHEMBL195098 ZINC28521466 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50307311 Oc1c(CCCCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 InChI=1S/C25H22Cl2N2O2/c26-19-10-14-21(15-11-19)28-24(30)23(9-5-4-8-18-6-2-1-3-7-18)25(31)29(28)22-16-12-20(27)13-17-22/h1-3,6-7,10-17,30H,4-5,8-9H2 DFLDCSJLYBSAHI-UHFFFAOYSA-N 50166500 1,2-Bis-(4-chloro-phenyl)-4-(4-phenyl-butyl)-pyrazolidine-3,5-dione::CHEMBL371783 UDP-N-acetylenolpyruvoylglucosamine reductase 6800 ChEMBL 10.1016/j.bmcl.2005.03.058 10.7270/Q2BG2NHW 15863310 Kutterer, KM; Davis, JM; Singh, G; Yang, Y; Hu, W; Severin, A; Rasmussen, BA; Krishnamurthy, G; Failli, A; Katz, AH Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166500 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166500&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 91936776 104051958 CHEMBL371783 ZINC28521853 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50307315 Oc1c(Cc2ccc(Cl)cc2Cl)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 InChI=1S/C22H14Cl4N2O2/c23-14-3-7-17(8-4-14)27-21(29)19(11-13-1-2-16(25)12-20(13)26)22(30)28(27)18-9-5-15(24)6-10-18/h1-10,12,29H,11H2 DWSKFVNWNPBKKV-UHFFFAOYSA-N 50166486 1,2-Bis-(4-chloro-phenyl)-4-(2,4-dichloro-benzyl)-pyrazolidine-3,5-dione::CHEMBL191919 UDP-N-acetylenolpyruvoylglucosamine reductase 29000 ChEMBL 10.1016/j.bmcl.2005.03.058 10.7270/Q2BG2NHW 15863310 Kutterer, KM; Davis, JM; Singh, G; Yang, Y; Hu, W; Severin, A; Rasmussen, BA; Krishnamurthy, G; Failli, A; Katz, AH Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50166486 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50166486&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 91936765 104051944 CHEMBL191919 ZINC28477337 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50590340 CC(C)(C)c1ccc(cc1)-n1nc2CCSc2c1O InChI=1S/C15H18N2OS/c1-15(2,3)10-4-6-11(7-5-10)17-14(18)13-12(16-17)8-9-19-13/h4-7,18H,8-9H2,1-3H3 MBDLCGUEJPOKQA-UHFFFAOYSA-N 50221024 CHEMBL86851 UDP-N-acetylenolpyruvoylglucosamine reductase >91100 ChEMBL 10.1016/s0960-894x(03)00471-2 10.7270/Q20P126D 12852973 Li, Z; Francisco, GD; Hu, W; Labthavikul, P; Petersen, PJ; Severin, A; Singh, G; Yang, Y; Rasmussen, BA; Lin, YI; Skotnicki, JS; Mansour, TS Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221024 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221024&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 44320787 377007901 CHEMBL86851 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50590341 Oc1c2SCCc2nn1-c1ccc(Cl)cc1 InChI=1S/C11H9ClN2OS/c12-7-1-3-8(4-2-7)14-11(15)10-9(13-14)5-6-16-10/h1-4,15H,5-6H2 ZNJIWTADQAGNCG-UHFFFAOYSA-N 50221018 CHEMBL85772 UDP-N-acetylenolpyruvoylglucosamine reductase 28000 ChEMBL 10.1016/s0960-894x(03)00471-2 10.7270/Q20P126D 12852973 Li, Z; Francisco, GD; Hu, W; Labthavikul, P; Petersen, PJ; Severin, A; Singh, G; Yang, Y; Rasmussen, BA; Lin, YI; Skotnicki, JS; Mansour, TS Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221018 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221018&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 11777017 377007895 CHEMBL85772 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50590334 CC1Cc2nn(c(O)c2S1)-c1ccc(Cl)cc1 InChI=1S/C12H11ClN2OS/c1-7-6-10-11(17-7)12(16)15(14-10)9-4-2-8(13)3-5-9/h2-5,7,16H,6H2,1H3 KUSHDXORQXXQLC-UHFFFAOYSA-N 50221019 CHEMBL87584 UDP-N-acetylenolpyruvoylglucosamine reductase >93700 ChEMBL 10.1016/s0960-894x(03)00471-2 10.7270/Q20P126D 12852973 Li, Z; Francisco, GD; Hu, W; Labthavikul, P; Petersen, PJ; Severin, A; Singh, G; Yang, Y; Rasmussen, BA; Lin, YI; Skotnicki, JS; Mansour, TS Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221019 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221019&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 44320825 377007896 CHEMBL87584 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50590336 Oc1c2CCCCc2nn1-c1ccc(Cl)c(Cl)c1 InChI=1S/C13H12Cl2N2O/c14-10-6-5-8(7-11(10)15)17-13(18)9-3-1-2-4-12(9)16-17/h5-7,18H,1-4H2 PQUWZQKNLDTEPW-UHFFFAOYSA-N 50221021 CHEMBL86981 UDP-N-acetylenolpyruvoylglucosamine reductase >88200 ChEMBL 10.1016/s0960-894x(03)00471-2 10.7270/Q20P126D 12852973 Li, Z; Francisco, GD; Hu, W; Labthavikul, P; Petersen, PJ; Severin, A; Singh, G; Yang, Y; Rasmussen, BA; Lin, YI; Skotnicki, JS; Mansour, TS Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221021 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221021&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 44320818 377007898 CHEMBL86981 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02 50590338 Oc1c2SCCc2nn1-c1ccc(cc1)C#N InChI=1S/C12H9N3OS/c13-7-8-1-3-9(4-2-8)15-12(16)11-10(14-15)5-6-17-11/h1-4,16H,5-6H2 UCUQCVBJVHIQOV-UHFFFAOYSA-N 50221023 CHEMBL84684 UDP-N-acetylenolpyruvoylglucosamine reductase >102000 ChEMBL 10.1016/s0960-894x(03)00471-2 10.7270/Q20P126D 12852973 Li, Z; Francisco, GD; Hu, W; Labthavikul, P; Petersen, PJ; Severin, A; Singh, G; Yang, Y; Rasmussen, BA; Lin, YI; Skotnicki, JS; Mansour, TS Wyeth Research http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50221023 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=6066&target=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50221023&enzyme=UDP-N-acetylenolpyruvoylglucosamine+reductase&column=ki&startPg=0&Increment=50&submit=Search 44320931 377007900 CHEMBL84684 1 MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES 1HSK UDP-N-acetylenolpyruvoylglucosamine reductase MURB_STAAU P61431 Q93G02