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 50502646 O[C@@H]1C=C(C[C@H]([C@@H]1O)n1cc(Cc2ccccc2)nn1)C(O)=O InChI=1S/C16H17N3O4/c20-14-8-11(16(22)23)7-13(15(14)21)19-9-12(17-18-19)6-10-4-2-1-3-5-10/h1-5,8-9,13-15,20-21H,6-7H2,(H,22,23)/t13-,14-,15+/m1/s1 NGBKQIRMEUOEII-KFWWJZLASA-N 50182447 CHEMBL3819604 Shikimate kinase Helicobacter pylori 95000 ChEMBL 10.1021/acs.jmedchem.6b00483 10.7270/Q2JW8GT4 27191386 Prado, V; Lence, E; Maneiro, M; Vázquez-Ucha, JC; Beceiro, A; Thompson, P; Hawkins, AR; González-Bello, C Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182447 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005664&target=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182447&enzyme=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search 127050369 346550058 CHEMBL3819604 1 MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFRMFEKNLIDELKTLKTPHVISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA 1ZUH,1ZUI,3HR7,3MRS,3MUF,3N2E Shikimate kinase AROK_HELPY P56073 50502647 O[C@@H]1C=C(C[C@@H](OCc2ccc3sccc3c2)[C@@H]1O)C(O)=O InChI=1S/C16H16O5S/c17-12-6-11(16(19)20)7-13(15(12)18)21-8-9-1-2-14-10(5-9)3-4-22-14/h1-6,12-13,15,17-18H,7-8H2,(H,19,20)/t12-,13-,15-/m1/s1 NARPVYIWMVNSQH-UMVBOHGHSA-N 50182448 CHEMBL3818824 Shikimate kinase Helicobacter pylori 560 ChEMBL 10.1021/acs.jmedchem.6b00483 10.7270/Q2JW8GT4 27191386 Prado, V; Lence, E; Maneiro, M; Vázquez-Ucha, JC; Beceiro, A; Thompson, P; Hawkins, AR; González-Bello, C Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182448 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005664&target=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182448&enzyme=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search 127050368 346550059 CHEMBL3818824 1 MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFRMFEKNLIDELKTLKTPHVISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA 1ZUH,1ZUI,3HR7,3MRS,3MUF,3N2E Shikimate kinase AROK_HELPY P56073 50502648 O[C@@H]1C=C(C[C@@H](OCc2ccc3ccccc3c2)[C@@H]1O)C(O)=O InChI=1S/C18H18O5/c19-15-8-14(18(21)22)9-16(17(15)20)23-10-11-5-6-12-3-1-2-4-13(12)7-11/h1-8,15-17,19-20H,9-10H2,(H,21,22)/t15-,16-,17-/m1/s1 GJHLDGXJKDDNLQ-BRWVUGGUSA-N 50182449 CHEMBL3819573 Shikimate kinase Helicobacter pylori 1800 ChEMBL 10.1021/acs.jmedchem.6b00483 10.7270/Q2JW8GT4 27191386 Prado, V; Lence, E; Maneiro, M; Vázquez-Ucha, JC; Beceiro, A; Thompson, P; Hawkins, AR; González-Bello, C Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182449 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005664&target=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182449&enzyme=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search 127052495 346550060 CHEMBL3819573 1 MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFRMFEKNLIDELKTLKTPHVISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA 1ZUH,1ZUI,3HR7,3MRS,3MUF,3N2E Shikimate kinase AROK_HELPY P56073 50502649 [Na+].O[C@@H]1C=C(C[C@@H](OCc2c(F)c(F)c(F)c(F)c2F)[C@@H]1O)C([O-])=O InChI=1S/C14H11F5O5.Na/c15-8-5(9(16)11(18)12(19)10(8)17)3-24-7-2-4(14(22)23)1-6(20)13(7)21;/h1,6-7,13,20-21H,2-3H2,(H,22,23);/q;+1/p-1/t6-,7-,13-;/m1./s1 YDVPYRXCWSNTFT-IGFOOZHASA-M 50182450 CHEMBL3818962 Shikimate kinase Helicobacter pylori 41000 ChEMBL 10.1021/acs.jmedchem.6b00483 10.7270/Q2JW8GT4 27191386 Prado, V; Lence, E; Maneiro, M; Vázquez-Ucha, JC; Beceiro, A; Thompson, P; Hawkins, AR; González-Bello, C Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182450 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005664&target=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182450&enzyme=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search 127052494 346550061 CHEMBL3818962 1 MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFRMFEKNLIDELKTLKTPHVISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA 1ZUH,1ZUI,3HR7,3MRS,3MUF,3N2E Shikimate kinase AROK_HELPY P56073 50502650 Cc1ccc(CO[C@@H]2CC(=C[C@@H](O)[C@H]2O)C(O)=O)cc1 InChI=1S/C15H18O5/c1-9-2-4-10(5-3-9)8-20-13-7-11(15(18)19)6-12(16)14(13)17/h2-6,12-14,16-17H,7-8H2,1H3,(H,18,19)/t12-,13-,14-/m1/s1 LAFHBLKQKGSCSR-MGPQQGTHSA-N 50182451 CHEMBL3818120 Shikimate kinase Helicobacter pylori 10900 ChEMBL 10.1021/acs.jmedchem.6b00483 10.7270/Q2JW8GT4 27191386 Prado, V; Lence, E; Maneiro, M; Vázquez-Ucha, JC; Beceiro, A; Thompson, P; Hawkins, AR; González-Bello, C Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182451 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005664&target=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182451&enzyme=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search 127052493 346550062 CHEMBL3818120 1 MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFRMFEKNLIDELKTLKTPHVISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA 1ZUH,1ZUI,3HR7,3MRS,3MUF,3N2E Shikimate kinase AROK_HELPY P56073 50502651 [Na+].O[C@@H]1C=C(C[C@@H](OCc2cccc(c2)[N+]([O-])=O)[C@@H]1O)C([O-])=O InChI=1S/C14H15NO7.Na/c16-11-5-9(14(18)19)6-12(13(11)17)22-7-8-2-1-3-10(4-8)15(20)21;/h1-5,11-13,16-17H,6-7H2,(H,18,19);/q;+1/p-1/t11-,12-,13-;/m1./s1 UDPLPKQQVKDWNZ-NLPVPVDASA-M 50182452 CHEMBL3818567 Shikimate kinase Helicobacter pylori 460 ChEMBL 10.1021/acs.jmedchem.6b00483 10.7270/Q2JW8GT4 27191386 Prado, V; Lence, E; Maneiro, M; Vázquez-Ucha, JC; Beceiro, A; Thompson, P; Hawkins, AR; González-Bello, C Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182452 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005664&target=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182452&enzyme=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search 127052193 346550063 CHEMBL3818567 1 MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFRMFEKNLIDELKTLKTPHVISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA 1ZUH,1ZUI,3HR7,3MRS,3MUF,3N2E Shikimate kinase AROK_HELPY P56073 50502652 Cc1cccc(CO[C@@H]2CC(=C[C@@H](O)[C@H]2O)C(O)=O)c1 InChI=1S/C15H18O5/c1-9-3-2-4-10(5-9)8-20-13-7-11(15(18)19)6-12(16)14(13)17/h2-6,12-14,16-17H,7-8H2,1H3,(H,18,19)/t12-,13-,14-/m1/s1 PWNRHGGXDWIGDV-MGPQQGTHSA-N 50182476 CHEMBL3818740 Shikimate kinase Helicobacter pylori 2100 ChEMBL 10.1021/acs.jmedchem.6b00483 10.7270/Q2JW8GT4 27191386 Prado, V; Lence, E; Maneiro, M; Vázquez-Ucha, JC; Beceiro, A; Thompson, P; Hawkins, AR; González-Bello, C Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182476 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005664&target=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182476&enzyme=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search 127052192 104067164 CHEMBL3818740 ZINC13681621 1 MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFRMFEKNLIDELKTLKTPHVISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA 1ZUH,1ZUI,3HR7,3MRS,3MUF,3N2E Shikimate kinase AROK_HELPY P56073 50502653 O[C@@H]1C=C(C[C@@H](OCc2cccc(F)c2)[C@@H]1O)C(O)=O InChI=1S/C14H15FO5/c15-10-3-1-2-8(4-10)7-20-12-6-9(14(18)19)5-11(16)13(12)17/h1-5,11-13,16-17H,6-7H2,(H,18,19)/t11-,12-,13-/m1/s1 AGTAELKRJKUDKF-JHJVBQTASA-N 50182478 CHEMBL3819175 Shikimate kinase Helicobacter pylori 1280 ChEMBL 10.1021/acs.jmedchem.6b00483 10.7270/Q2JW8GT4 27191386 Prado, V; Lence, E; Maneiro, M; Vázquez-Ucha, JC; Beceiro, A; Thompson, P; Hawkins, AR; González-Bello, C Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182478 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005664&target=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182478&enzyme=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search 127052191 346550064 CHEMBL3819175 1 MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFRMFEKNLIDELKTLKTPHVISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA 1ZUH,1ZUI,3HR7,3MRS,3MUF,3N2E Shikimate kinase AROK_HELPY P56073 50502654 COc1cccc(CO[C@@H]2CC(=C[C@@H](O)[C@H]2O)C(O)=O)c1 InChI=1S/C15H18O6/c1-20-11-4-2-3-9(5-11)8-21-13-7-10(15(18)19)6-12(16)14(13)17/h2-6,12-14,16-17H,7-8H2,1H3,(H,18,19)/t12-,13-,14-/m1/s1 FQRBKIJCGBYOMM-MGPQQGTHSA-N 50182479 CHEMBL3818668 Shikimate kinase Helicobacter pylori 1000 ChEMBL 10.1021/acs.jmedchem.6b00483 10.7270/Q2JW8GT4 27191386 Prado, V; Lence, E; Maneiro, M; Vázquez-Ucha, JC; Beceiro, A; Thompson, P; Hawkins, AR; González-Bello, C Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182479 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005664&target=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182479&enzyme=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search 127052190 346550065 CHEMBL3818668 1 MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFRMFEKNLIDELKTLKTPHVISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA 1ZUH,1ZUI,3HR7,3MRS,3MUF,3N2E Shikimate kinase AROK_HELPY P56073 50502655 O[C@@H]1C=C(C[C@@H](OCc2ccccc2)[C@@H]1O)C(O)=O InChI=1S/C14H16O5/c15-11-6-10(14(17)18)7-12(13(11)16)19-8-9-4-2-1-3-5-9/h1-6,11-13,15-16H,7-8H2,(H,17,18)/t11-,12-,13-/m1/s1 FSZUONNMGKPDOK-JHJVBQTASA-N 50182480 CHEMBL3818794 Shikimate kinase Helicobacter pylori 3000 ChEMBL 10.1021/acs.jmedchem.6b00483 10.7270/Q2JW8GT4 27191386 Prado, V; Lence, E; Maneiro, M; Vázquez-Ucha, JC; Beceiro, A; Thompson, P; Hawkins, AR; González-Bello, C Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182480 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005664&target=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182480&enzyme=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search 127050296 346550066 CHEMBL3818794 1 MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFRMFEKNLIDELKTLKTPHVISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA 1ZUH,1ZUI,3HR7,3MRS,3MUF,3N2E Shikimate kinase AROK_HELPY P56073 50502656 O[C@@H]1C=C(C[C@H]([C@@H]1O)n1cc(COc2ccccc2)nn1)C(O)=O InChI=1S/C16H17N3O5/c20-14-7-10(16(22)23)6-13(15(14)21)19-8-11(17-18-19)9-24-12-4-2-1-3-5-12/h1-5,7-8,13-15,20-21H,6,9H2,(H,22,23)/t13-,14-,15+/m1/s1 DQILQRGUJCOKQW-KFWWJZLASA-N 50182481 CHEMBL3818698 Shikimate kinase Helicobacter pylori 67000 ChEMBL 10.1021/acs.jmedchem.6b00483 10.7270/Q2JW8GT4 27191386 Prado, V; Lence, E; Maneiro, M; Vázquez-Ucha, JC; Beceiro, A; Thompson, P; Hawkins, AR; González-Bello, C Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182481 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005664&target=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182481&enzyme=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search 127050680 346550067 CHEMBL3818698 1 MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFRMFEKNLIDELKTLKTPHVISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA 1ZUH,1ZUI,3HR7,3MRS,3MUF,3N2E Shikimate kinase AROK_HELPY P56073 50502657 [Na+].N[C@H]1C=C(C[C@@H](OCc2ccc3ccccc3c2)[C@@H]1O)C([O-])=O InChI=1S/C18H19NO4.Na/c19-15-8-14(18(21)22)9-16(17(15)20)23-10-11-5-6-12-3-1-2-4-13(12)7-11;/h1-8,15-17,20H,9-10,19H2,(H,21,22);/q;+1/p-1/t15-,16+,17+;/m0./s1 OSEZVZYBRRUCJH-NINZUIERSA-M 50182482 CHEMBL3817864 Shikimate kinase Helicobacter pylori >800000 ChEMBL 10.1021/acs.jmedchem.6b00483 10.7270/Q2JW8GT4 27191386 Prado, V; Lence, E; Maneiro, M; Vázquez-Ucha, JC; Beceiro, A; Thompson, P; Hawkins, AR; González-Bello, C Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182482 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005664&target=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182482&enzyme=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search 127050681 346550068 CHEMBL3817864 1 MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFRMFEKNLIDELKTLKTPHVISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA 1ZUH,1ZUI,3HR7,3MRS,3MUF,3N2E Shikimate kinase AROK_HELPY P56073 50502658 [Na+].N[C@H]1C=C(C[C@@H](OCc2ccc3sccc3c2)[C@@H]1O)C([O-])=O InChI=1S/C16H17NO4S.Na/c17-12-6-11(16(19)20)7-13(15(12)18)21-8-9-1-2-14-10(5-9)3-4-22-14;/h1-6,12-13,15,18H,7-8,17H2,(H,19,20);/q;+1/p-1/t12-,13+,15+;/m0./s1 QRACMGHZLNMUDF-RAFLFFCLSA-M 50182483 CHEMBL3819040 Shikimate kinase Helicobacter pylori 535000 ChEMBL 10.1021/acs.jmedchem.6b00483 10.7270/Q2JW8GT4 27191386 Prado, V; Lence, E; Maneiro, M; Vázquez-Ucha, JC; Beceiro, A; Thompson, P; Hawkins, AR; González-Bello, C Universidade de Santiago de Compostela http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50182483 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005664&target=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50182483&enzyme=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search 127050682 346550069 CHEMBL3819040 1 MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFRMFEKNLIDELKTLKTPHVISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA 1ZUH,1ZUI,3HR7,3MRS,3MUF,3N2E Shikimate kinase AROK_HELPY P56073 50845107 OC(=O)c1cc(Br)ccc1-c1ccc(\C=C2\C(=O)NN(C2=O)c2ccc(Cl)c(Cl)c2)o1 InChI=1S/C21H11BrCl2N2O5/c22-10-1-4-13(14(7-10)21(29)30)18-6-3-12(31-18)9-15-19(27)25-26(20(15)28)11-2-5-16(23)17(24)8-11/h1-9H,(H,25,27)(H,29,30)/b15-9- BCBVPTZIDSXEEJ-DHDCSXOGSA-N 50370961 CHEMBL376902::med.21724, Compound 110 Shikimate kinase Helicobacter pylori 2190 ChEMBL 10.1016/j.bmc.2006.10.058 10.7270/Q2959JC3 17098431 Han, C; Zhang, J; Chen, L; Chen, K; Shen, X; Jiang, H Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005664&target=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370961&enzyme=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search 1797640 160850062 CHEMBL376902 ZINC28640771 1 MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFRMFEKNLIDELKTLKTPHVISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA 1ZUH,1ZUI,3HR7,3MRS,3MUF,3N2E Shikimate kinase AROK_HELPY P56073 50845108 OC(=O)c1cc(Br)ccc1-c1ccc(\C=C2\C(=O)NN(C2=O)c2ccc(Cl)c(Cl)c2)o1 InChI=1S/C21H11BrCl2N2O5/c22-10-1-4-13(14(7-10)21(29)30)18-6-3-12(31-18)9-15-19(27)25-26(20(15)28)11-2-5-16(23)17(24)8-11/h1-9H,(H,25,27)(H,29,30)/b15-9- BCBVPTZIDSXEEJ-DHDCSXOGSA-N 50370961 CHEMBL376902::med.21724, Compound 110 Shikimate kinase Helicobacter pylori 6400 ChEMBL 10.1016/j.bmc.2006.10.058 10.7270/Q2959JC3 17098431 Han, C; Zhang, J; Chen, L; Chen, K; Shen, X; Jiang, H Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005664&target=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370961&enzyme=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search 1797640 160850062 CHEMBL376902 ZINC28640771 1 MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFRMFEKNLIDELKTLKTPHVISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA 1ZUH,1ZUI,3HR7,3MRS,3MUF,3N2E Shikimate kinase AROK_HELPY P56073 50845109 COc1cc(C=O)ccc1OCc1ccccc1COc1ccc(C=C2SC(S)=NC2=O)cc1OC InChI=1S/C27H23NO6S2/c1-31-23-11-17(13-25-26(30)28-27(35)36-25)7-9-21(23)33-15-19-5-3-4-6-20(19)16-34-22-10-8-18(14-29)12-24(22)32-2/h3-14H,15-16H2,1-2H3,(H,28,30,35) DNEZZJCGSKXMTP-UHFFFAOYSA-N 50370962 CHEMBL223867 Shikimate kinase Helicobacter pylori 5500 ChEMBL 10.1016/j.bmc.2006.10.058 10.7270/Q2959JC3 17098431 Han, C; Zhang, J; Chen, L; Chen, K; Shen, X; Jiang, H Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005664&target=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370962&enzyme=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5340513 160850063 CHEMBL223867 ZINC09296550 1 MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFRMFEKNLIDELKTLKTPHVISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA 1ZUH,1ZUI,3HR7,3MRS,3MUF,3N2E Shikimate kinase AROK_HELPY P56073 50845110 COc1cc(C=O)ccc1OCc1ccccc1COc1ccc(C=C2SC(S)=NC2=O)cc1OC InChI=1S/C27H23NO6S2/c1-31-23-11-17(13-25-26(30)28-27(35)36-25)7-9-21(23)33-15-19-5-3-4-6-20(19)16-34-22-10-8-18(14-29)12-24(22)32-2/h3-14H,15-16H2,1-2H3,(H,28,30,35) DNEZZJCGSKXMTP-UHFFFAOYSA-N 50370962 CHEMBL223867 Shikimate kinase Helicobacter pylori 9480 ChEMBL 10.1016/j.bmc.2006.10.058 10.7270/Q2959JC3 17098431 Han, C; Zhang, J; Chen, L; Chen, K; Shen, X; Jiang, H Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005664&target=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370962&enzyme=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5340513 160850063 CHEMBL223867 ZINC09296550 1 MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFRMFEKNLIDELKTLKTPHVISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA 1ZUH,1ZUI,3HR7,3MRS,3MUF,3N2E Shikimate kinase AROK_HELPY P56073 50845111 COc1cc(C=O)ccc1OCc1ccccc1COc1ccc(C=C2SC(S)=NC2=O)cc1OC InChI=1S/C27H23NO6S2/c1-31-23-11-17(13-25-26(30)28-27(35)36-25)7-9-21(23)33-15-19-5-3-4-6-20(19)16-34-22-10-8-18(14-29)12-24(22)32-2/h3-14H,15-16H2,1-2H3,(H,28,30,35) DNEZZJCGSKXMTP-UHFFFAOYSA-N 50370962 CHEMBL223867 Shikimate kinase Helicobacter pylori 4390 ChEMBL 10.1016/j.bmc.2006.10.058 10.7270/Q2959JC3 17098431 Han, C; Zhang, J; Chen, L; Chen, K; Shen, X; Jiang, H Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005664&target=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370962&enzyme=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5340513 160850063 CHEMBL223867 ZINC09296550 1 MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFRMFEKNLIDELKTLKTPHVISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA 1ZUH,1ZUI,3HR7,3MRS,3MUF,3N2E Shikimate kinase AROK_HELPY P56073 50845112 COc1cc(C=O)ccc1OCc1ccccc1COc1ccc(C=C2SC(S)=NC2=O)cc1OC InChI=1S/C27H23NO6S2/c1-31-23-11-17(13-25-26(30)28-27(35)36-25)7-9-21(23)33-15-19-5-3-4-6-20(19)16-34-22-10-8-18(14-29)12-24(22)32-2/h3-14H,15-16H2,1-2H3,(H,28,30,35) DNEZZJCGSKXMTP-UHFFFAOYSA-N 50370962 CHEMBL223867 Shikimate kinase Helicobacter pylori 10670 ChEMBL 10.1016/j.bmc.2006.10.058 10.7270/Q2959JC3 17098431 Han, C; Zhang, J; Chen, L; Chen, K; Shen, X; Jiang, H Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005664&target=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370962&enzyme=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5340513 160850063 CHEMBL223867 ZINC09296550 1 MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFRMFEKNLIDELKTLKTPHVISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA 1ZUH,1ZUI,3HR7,3MRS,3MUF,3N2E Shikimate kinase AROK_HELPY P56073 50845113 OC(=O)c1cc(Br)ccc1-c1ccc(\C=C2\C(=O)NN(C2=O)c2ccc(Cl)c(Cl)c2)o1 InChI=1S/C21H11BrCl2N2O5/c22-10-1-4-13(14(7-10)21(29)30)18-6-3-12(31-18)9-15-19(27)25-26(20(15)28)11-2-5-16(23)17(24)8-11/h1-9H,(H,25,27)(H,29,30)/b15-9- BCBVPTZIDSXEEJ-DHDCSXOGSA-N 50370961 CHEMBL376902::med.21724, Compound 110 Shikimate kinase Helicobacter pylori 3740 ChEMBL 10.1016/j.bmc.2006.10.058 10.7270/Q2959JC3 17098431 Han, C; Zhang, J; Chen, L; Chen, K; Shen, X; Jiang, H Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005664&target=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370961&enzyme=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search 1797640 160850062 CHEMBL376902 ZINC28640771 1 MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFRMFEKNLIDELKTLKTPHVISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA 1ZUH,1ZUI,3HR7,3MRS,3MUF,3N2E Shikimate kinase AROK_HELPY P56073 50845114 COc1cc(C=O)ccc1OCc1ccccc1COc1ccc(C=C2SC(S)=NC2=O)cc1OC InChI=1S/C27H23NO6S2/c1-31-23-11-17(13-25-26(30)28-27(35)36-25)7-9-21(23)33-15-19-5-3-4-6-20(19)16-34-22-10-8-18(14-29)12-24(22)32-2/h3-14H,15-16H2,1-2H3,(H,28,30,35) DNEZZJCGSKXMTP-UHFFFAOYSA-N 50370962 CHEMBL223867 Shikimate kinase Helicobacter pylori 7180 ChEMBL 10.1016/j.bmc.2006.10.058 10.7270/Q2959JC3 17098431 Han, C; Zhang, J; Chen, L; Chen, K; Shen, X; Jiang, H Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005664&target=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370962&enzyme=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search 5340513 160850063 CHEMBL223867 ZINC09296550 1 MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFRMFEKNLIDELKTLKTPHVISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA 1ZUH,1ZUI,3HR7,3MRS,3MUF,3N2E Shikimate kinase AROK_HELPY P56073 50845115 OC(=O)c1cc(Br)ccc1-c1ccc(\C=C2\C(=O)NN(C2=O)c2ccc(Cl)c(Cl)c2)o1 InChI=1S/C21H11BrCl2N2O5/c22-10-1-4-13(14(7-10)21(29)30)18-6-3-12(31-18)9-15-19(27)25-26(20(15)28)11-2-5-16(23)17(24)8-11/h1-9H,(H,25,27)(H,29,30)/b15-9- BCBVPTZIDSXEEJ-DHDCSXOGSA-N 50370961 CHEMBL376902::med.21724, Compound 110 Shikimate kinase Helicobacter pylori 7920 ChEMBL 10.1016/j.bmc.2006.10.058 10.7270/Q2959JC3 17098431 Han, C; Zhang, J; Chen, L; Chen, K; Shen, X; Jiang, H Chinese Academy of Sciences http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50370961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50005664&target=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50370961&enzyme=Shikimate+kinase&column=ki&startPg=0&Increment=50&submit=Search 1797640 160850062 CHEMBL376902 ZINC28640771 1 MQHLVLIGFMGSGKSSLAQELGLALKLEVLDTDMIISERVGLSVREIFEELGEDNFRMFEKNLIDELKTLKTPHVISTGGGIVMHENLKGLGTTFYLKMDFETLIKRLNQKEREKRPLLNNLTQAKELFEKRQALYEKNASFIIDARGGLNNSLKQVLQFIA 1ZUH,1ZUI,3HR7,3MRS,3MUF,3N2E Shikimate kinase AROK_HELPY P56073