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 50002514 C(CNc1ccnc2ccccc12)Cc1ccccc1 InChI=1S/C18H18N2/c1-2-7-15(8-3-1)9-6-13-19-18-12-14-20-17-11-5-4-10-16(17)18/h1-5,7-8,10-12,14H,6,9,13H2,(H,19,20) GVBBPBHXCFPAPH-UHFFFAOYSA-N 50282108 (3-Phenyl-propyl)-quinolin-4-yl-amine::CHEMBL41909 Scytalone dehydratase Magnaporthe grisea 45000 9.8 ChEMBL 10.1016/S0960-894X(00)80026-8 10.7270/Q2WD40GM Hodge, C; Pierce, J TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50282108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50282108&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 19094087 104123782 CHEMBL41909 ZINC29348018 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50002515 Oc1ccccc1C(=O)NCCCc1ccccc1 InChI=1S/C16H17NO2/c18-15-11-5-4-10-14(15)16(19)17-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,18H,6,9,12H2,(H,17,19) NCGDIICSZWHCQX-UHFFFAOYSA-N 50282105 2-Hydroxy-N-(3-phenyl-propyl)-benzamide::CHEMBL290426::cid_2287872 Scytalone dehydratase Magnaporthe grisea 230 9.8 ChEMBL 10.1016/S0960-894X(00)80026-8 10.7270/Q2WD40GM Hodge, C; Pierce, J TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50282105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50282105&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 2287872 104123779 CHEMBL290426 ZINC02989649 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50002516 C(CNc1nccc2ccccc12)Cc1ccccc1 InChI=1S/C18H18N2/c1-2-7-15(8-3-1)9-6-13-19-18-17-11-5-4-10-16(17)12-14-20-18/h1-5,7-8,10-12,14H,6,9,13H2,(H,19,20) ZRAIUMVYTFUMKD-UHFFFAOYSA-N 50282107 CHEMBL289792::Isoquinolin-1-yl-(3-phenyl-propyl)-amine Scytalone dehydratase Magnaporthe grisea 6700 7 ChEMBL 10.1016/S0960-894X(00)80026-8 10.7270/Q2WD40GM Hodge, C; Pierce, J TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50282107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50282107&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288035 104123781 CHEMBL289792 ZINC29343783 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50002517 C(CNc1ncnc2ccccc12)Cc1ccccc1 InChI=1S/C17H17N3/c1-2-7-14(8-3-1)9-6-12-18-17-15-10-4-5-11-16(15)19-13-20-17/h1-5,7-8,10-11,13H,6,9,12H2,(H,18,19,20) OAPMCZLOWYUSSD-UHFFFAOYSA-N 50282106 (3-Phenyl-propyl)-quinazolin-4-yl-amine::CHEMBL42565::N-(3-phenylpropyl)quinazolin-4-amine Scytalone dehydratase Magnaporthe grisea 19 9.8 ChEMBL 10.1016/S0960-894X(00)80026-8 10.7270/Q2WD40GM Hodge, C; Pierce, J TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50282106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50282106&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288306 104123780 CHEMBL42565 ZINC13476428 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50009968 C[C@@H](NC(=O)C1(CC(C)(Cl)C1)C(F)(F)F)c1ccc(Br)cc1 InChI=1S/C15H16BrClF3NO/c1-9(10-3-5-11(16)6-4-10)21-12(22)14(15(18,19)20)7-13(2,17)8-14/h3-6,9H,7-8H2,1-2H3,(H,21,22)/t9-,13?,14?/m1/s1 LEYXBSWEVKZDEW-BZFQTPOWSA-N 50080936 3-Chloro-3-methyl-1-trifluoromethyl-cyclobutanecarboxylic acid [(R)-1-(4-bromo-phenyl)-ethyl]-amide::CHEMBL432940 Scytalone dehydratase Magnaporthe grisea 2.3 ChEMBL 10.1016/s0960-894x(99)00424-2 10.7270/Q2VD6XNG 10498198 Jennings, LD; Wawrzak, Z; Amorose, D; Schwartz, RS; Jordan, DB FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080936&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 23550323 103981035 CHEMBL432940 ZINC26568292 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50577168 C[C@@H](NC(=O)C1(CC(C)(Cl)C1)C(F)(F)F)c1ccc(Br)cc1 InChI=1S/C15H16BrClF3NO/c1-9(10-3-5-11(16)6-4-10)21-12(22)14(15(18,19)20)7-13(2,17)8-14/h3-6,9H,7-8H2,1-2H3,(H,21,22)/t9-,13?,14?/m1/s1 LEYXBSWEVKZDEW-BZFQTPOWSA-N 50080936 3-Chloro-3-methyl-1-trifluoromethyl-cyclobutanecarboxylic acid [(R)-1-(4-bromo-phenyl)-ethyl]-amide::CHEMBL432940 Scytalone dehydratase Magnaporthe grisea 0.049000 ChEMBL 10.1016/s0960-894x(99)00424-2 10.7270/Q2VD6XNG 10498198 Jennings, LD; Wawrzak, Z; Amorose, D; Schwartz, RS; Jordan, DB FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080936&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 23550323 103981035 CHEMBL432940 ZINC26568292 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50009964 C[C@@H](NC(=O)C1(CC(C)(Cl)C1)C(F)(F)F)c1ccc(Br)cc1 InChI=1S/C15H16BrClF3NO/c1-9(10-3-5-11(16)6-4-10)21-12(22)14(15(18,19)20)7-13(2,17)8-14/h3-6,9H,7-8H2,1-2H3,(H,21,22)/t9-,13?,14?/m1/s1 LEYXBSWEVKZDEW-BZFQTPOWSA-N 50080936 3-Chloro-3-methyl-1-trifluoromethyl-cyclobutanecarboxylic acid [(R)-1-(4-bromo-phenyl)-ethyl]-amide::CHEMBL432940 Scytalone dehydratase Magnaporthe grisea 2.30 ChEMBL 10.1016/s0960-894x(99)00424-2 10.7270/Q2VD6XNG 10498198 Jennings, LD; Wawrzak, Z; Amorose, D; Schwartz, RS; Jordan, DB FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080936 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080936&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 23550323 103981035 CHEMBL432940 ZINC26568292 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136788 C[C@H](COc1cc(F)ccc1F)NC(=O)[C@H](C#N)C(C)(C)C InChI=1S/C16H20F2N2O2/c1-10(20-15(21)12(8-19)16(2,3)4)9-22-14-7-11(17)5-6-13(14)18/h5-7,10,12H,9H2,1-4H3,(H,20,21)/t10-,12+/m1/s1 QBSPHETXHGBDOW-PWSUYJOCSA-N 50078286 (S)-2-Cyano-N-[(R)-2-(2,5-difluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide::CHEMBL38816 Scytalone dehydratase Magnaporthe grisea 0.020 ChEMBL 10.1016/s0960-894x(99)00247-4 10.7270/Q2DR2TN4 10386946 Basarab, GS; Jordan, DB; Gehret, TC; Schwartz, RS; Wawrzak, Z FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078286&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288229 103970882 CHEMBL38816 ZINC29337428 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136789 CCC(C#N)C(=O)N[C@H](C)[C@@H](Oc1cc(F)ccc1C#N)c1ccccc1 InChI=1S/C21H20FN3O2/c1-3-15(12-23)21(26)25-14(2)20(16-7-5-4-6-8-16)27-19-11-18(22)10-9-17(19)13-24/h4-11,14-15,20H,3H2,1-2H3,(H,25,26)/t14-,15?,20-/m1/s1 UWIQGACVUDOUBJ-GMOTXPODSA-N 50078301 2-Cyano-N-[(1R,2S)-2-(2-cyano-5-fluoro-phenoxy)-1-methyl-2-phenyl-ethyl]-butyramide::CHEMBL289381 Scytalone dehydratase Magnaporthe grisea 0.021 ChEMBL 10.1016/s0960-894x(99)00247-4 10.7270/Q2DR2TN4 10386946 Basarab, GS; Jordan, DB; Gehret, TC; Schwartz, RS; Wawrzak, Z FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078301 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078301&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288325 103970897 CHEMBL289381 ZINC29342622 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136790 CCC(C#N)C(=O)N[C@H](C)[C@@H](Oc1cc(Cl)ccc1C#N)c1ccccc1 InChI=1S/C21H20ClN3O2/c1-3-15(12-23)21(26)25-14(2)20(16-7-5-4-6-8-16)27-19-11-18(22)10-9-17(19)13-24/h4-11,14-15,20H,3H2,1-2H3,(H,25,26)/t14-,15?,20-/m1/s1 NIECKCGTAOLGLB-GMOTXPODSA-N 50078302 CHEMBL417897::N-[(1R,2S)-2-(5-Chloro-2-cyano-phenoxy)-1-methyl-2-phenyl-ethyl]-2-cyano-butyramide Scytalone dehydratase Magnaporthe grisea 0.031 ChEMBL 10.1016/s0960-894x(99)00247-4 10.7270/Q2DR2TN4 10386946 Basarab, GS; Jordan, DB; Gehret, TC; Schwartz, RS; Wawrzak, Z FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078302 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078302&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288674 103970898 CHEMBL417897 ZINC29391967 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136791 C[C@H](Nc1ncnc2cc(F)c(F)cc12)C(c1ccccc1)c1ccccc1 InChI=1S/C23H19F2N3/c1-15(22(16-8-4-2-5-9-16)17-10-6-3-7-11-17)28-23-18-12-19(24)20(25)13-21(18)26-14-27-23/h2-15,22H,1H3,(H,26,27,28)/t15-/m0/s1 WVGZKPGUHOZIJQ-HNNXBMFYSA-N 50078304 (6,7-DIFLUORO-QUINAZOLIN-4-YL)-(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE::(6,7-Difluoro-quinazolin-4-yl)-((S)-1-methyl-2,2-diphenyl-ethyl)-amine::CHEMBL42632 Scytalone dehydratase Magnaporthe grisea 0.032 ChEMBL 10.1016/s0960-894x(99)00247-4 10.7270/Q2DR2TN4 10386946 Basarab, GS; Jordan, DB; Gehret, TC; Schwartz, RS; Wawrzak, Z FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078304 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078304&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search UNN 5STD 5496989 103970900 CHEMBL42632 DB03678 ZINC12503826 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136792 C[C@H](COc1cc(F)ccc1F)NC(=O)C(C#N)C1CC1 InChI=1S/C15H16F2N2O2/c1-9(19-15(20)12(7-18)10-2-3-10)8-21-14-6-11(16)4-5-13(14)17/h4-6,9-10,12H,2-3,8H2,1H3,(H,19,20)/t9-,12?/m1/s1 CXZBIXXPAQKCAA-PKEIRNPWSA-N 50078305 2-Cyano-2-cyclopropyl-N-[(R)-2-(2,5-difluoro-phenoxy)-1-methyl-ethyl]-acetamide::CHEMBL296235 Scytalone dehydratase Magnaporthe grisea 1.10 ChEMBL 10.1016/s0960-894x(99)00247-4 10.7270/Q2DR2TN4 10386946 Basarab, GS; Jordan, DB; Gehret, TC; Schwartz, RS; Wawrzak, Z FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078305 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078305&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288676 103970901 CHEMBL296235 ZINC29391975 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136793 CCC(C#N)C(=O)N[C@H](C)[C@@H](Oc1cc(F)ccc1F)c1ccccc1 InChI=1S/C20H20F2N2O2/c1-3-14(12-23)20(25)24-13(2)19(15-7-5-4-6-8-15)26-18-11-16(21)9-10-17(18)22/h4-11,13-14,19H,3H2,1-2H3,(H,24,25)/t13-,14?,19-/m1/s1 FPGLCPXACSEGED-BOOUNLCJSA-N 50078303 2-Cyano-N-[(1R,2S)-2-(2,5-difluoro-phenoxy)-1-methyl-2-phenyl-ethyl]-butyramide::CHEMBL43632 Scytalone dehydratase Magnaporthe grisea 0.020 ChEMBL 10.1016/s0960-894x(99)00247-4 10.7270/Q2DR2TN4 10386946 Basarab, GS; Jordan, DB; Gehret, TC; Schwartz, RS; Wawrzak, Z FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078303 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078303&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288173 103970899 CHEMBL43632 ZINC13839759 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136794 CC(C)C(C#N)C(=O)N[C@H](C)[C@@H](Oc1ccccc1C#N)c1ccccc1 InChI=1S/C22H23N3O2/c1-15(2)19(14-24)22(26)25-16(3)21(17-9-5-4-6-10-17)27-20-12-8-7-11-18(20)13-23/h4-12,15-16,19,21H,1-3H3,(H,25,26)/t16-,19?,21-/m1/s1 ZRYYIACSVAQMED-SVAIFQIPSA-N 50078306 2-Cyano-N-[(1R,2S)-2-(2-cyano-phenoxy)-1-methyl-2-phenyl-ethyl]-3-methyl-butyramide::CHEMBL418441 Scytalone dehydratase Magnaporthe grisea 0.038 ChEMBL 10.1016/s0960-894x(99)00247-4 10.7270/Q2DR2TN4 10386946 Basarab, GS; Jordan, DB; Gehret, TC; Schwartz, RS; Wawrzak, Z FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078306 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078306&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288577 103970902 CHEMBL418441 ZINC29343821 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136795 C[C@@H](NC(=O)C(C#N)C(C)(C)C)[C@@H](Oc1ccccc1C#N)c1ccccc1 InChI=1S/C23H25N3O2/c1-16(26-22(27)19(15-25)23(2,3)4)21(17-10-6-5-7-11-17)28-20-13-9-8-12-18(20)14-24/h5-13,16,19,21H,1-4H3,(H,26,27)/t16-,19?,21-/m1/s1 VMJXEHMUZRVZCG-SVAIFQIPSA-N 50078307 2-Cyano-N-[(1R,2S)-2-(2-cyano-phenoxy)-1-methyl-2-phenyl-ethyl]-3,3-dimethyl-butyramide::CHEMBL418515 Scytalone dehydratase Magnaporthe grisea 0.140 ChEMBL 10.1016/s0960-894x(99)00247-4 10.7270/Q2DR2TN4 10386946 Basarab, GS; Jordan, DB; Gehret, TC; Schwartz, RS; Wawrzak, Z FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078307 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078307&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288550 103970903 CHEMBL418515 ZINC29390125 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136796 CC(C)C(C#N)C(=O)N[C@H](C)COc1cc(F)ccc1F InChI=1S/C15H18F2N2O2/c1-9(2)12(7-18)15(20)19-10(3)8-21-14-6-11(16)4-5-13(14)17/h4-6,9-10,12H,8H2,1-3H3,(H,19,20)/t10-,12?/m1/s1 CPVKFEWPBLQJBQ-RWANSRKNSA-N 50078308 2-Cyano-N-[(R)-2-(2,5-difluoro-phenoxy)-1-methyl-ethyl]-3-methyl-butyramide::CHEMBL40742 Scytalone dehydratase Magnaporthe grisea 0.270 ChEMBL 10.1016/s0960-894x(99)00247-4 10.7270/Q2DR2TN4 10386946 Basarab, GS; Jordan, DB; Gehret, TC; Schwartz, RS; Wawrzak, Z FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078308 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078308&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288326 103970904 CHEMBL40742 ZINC29342628 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136797 N#Cc1nnc2ccccc2c1NCCC(c1ccccc1)c1ccccc1 InChI=1S/C24H20N4/c25-17-23-24(21-13-7-8-14-22(21)27-28-23)26-16-15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,20H,15-16H2,(H,26,27) OKYZTEUAKHHRRB-UHFFFAOYSA-N 50078309 4-(3,3-Diphenyl-propylamino)-cinnoline-3-carbonitrile::CHEMBL42312 Scytalone dehydratase Magnaporthe grisea 0.008 ChEMBL 10.1016/s0960-894x(99)00247-4 10.7270/Q2DR2TN4 10386946 Basarab, GS; Jordan, DB; Gehret, TC; Schwartz, RS; Wawrzak, Z FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078309 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078309&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search Q0 3STD 449484 103970905 CHEMBL42312 ZINC06578882 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136798 CCC(C#N)C(=O)N[C@H](C)[C@@H](Oc1cc(Br)ccc1C#N)c1ccccc1 InChI=1S/C21H20BrN3O2/c1-3-15(12-23)21(26)25-14(2)20(16-7-5-4-6-8-16)27-19-11-18(22)10-9-17(19)13-24/h4-11,14-15,20H,3H2,1-2H3,(H,25,26)/t14-,15?,20-/m1/s1 KOODIWNQVVSVBP-GMOTXPODSA-N 50078310 CHEMBL289791::N-[(1R,2S)-2-(5-Bromo-2-cyano-phenoxy)-1-methyl-2-phenyl-ethyl]-2-cyano-butyramide Scytalone dehydratase Magnaporthe grisea 0.034 ChEMBL 10.1016/s0960-894x(99)00247-4 10.7270/Q2DR2TN4 10386946 Basarab, GS; Jordan, DB; Gehret, TC; Schwartz, RS; Wawrzak, Z FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078310 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078310&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288645 103970906 CHEMBL289791 ZINC29344645 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136799 CCC1(C(C)C1(Cl)Cl)C(=O)N[C@H](C)c1ccc(Cl)cc1 InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)/t9-,10?,14?/m1/s1 RXDMAYSSBPYBFW-NAUIOFCNSA-N 50078312 2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarboxylic acid [(R)-1-(4-chloro-phenyl)-ethyl]-amide::CHEMBL40394 Scytalone dehydratase Magnaporthe grisea 0.019 ChEMBL 10.1016/s0960-894x(99)00247-4 10.7270/Q2DR2TN4 10386946 Basarab, GS; Jordan, DB; Gehret, TC; Schwartz, RS; Wawrzak, Z FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078312&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288646 103970908 3434 CHEMBL40394 C10932 ZINC29342876 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136800 CCC(C#N)C(=O)N[C@H](C)[C@@H](Oc1ccccc1C#N)c1ccccc1 InChI=1S/C21H21N3O2/c1-3-16(13-22)21(25)24-15(2)20(17-9-5-4-6-10-17)26-19-12-8-7-11-18(19)14-23/h4-12,15-16,20H,3H2,1-2H3,(H,24,25)/t15-,16?,20-/m1/s1 VLCUTYJRMALWLT-OSDSZRHNSA-N 50078311 2-Cyano-N-[(1R,2S)-2-(2-cyano-phenoxy)-1-methyl-2-phenyl-ethyl]-butyramide::CHEMBL40838 Scytalone dehydratase Magnaporthe grisea 0.070 ChEMBL 10.1016/s0960-894x(99)00247-4 10.7270/Q2DR2TN4 10386946 Basarab, GS; Jordan, DB; Gehret, TC; Schwartz, RS; Wawrzak, Z FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078311 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078311&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288269 103970907 CHEMBL40838 ZINC29347584 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136801 C[C@H](COc1cc(F)ccc1F)NC(=O)C(C#N)C(C)(C)C InChI=1S/C16H20F2N2O2/c1-10(20-15(21)12(8-19)16(2,3)4)9-22-14-7-11(17)5-6-13(14)18/h5-7,10,12H,9H2,1-4H3,(H,20,21)/t10-,12?/m1/s1 QBSPHETXHGBDOW-RWANSRKNSA-N 50078281 2-Cyano-N-[(R)-2-(2,5-difluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide::CHEMBL295533 Scytalone dehydratase Magnaporthe grisea 0.042 ChEMBL 10.1016/s0960-894x(99)00247-4 10.7270/Q2DR2TN4 10386946 Basarab, GS; Jordan, DB; Gehret, TC; Schwartz, RS; Wawrzak, Z FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078281&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288209 103970877 CHEMBL295533 ZINC29337428 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136802 C[C@@H](NC(=O)c1cc(F)ccc1O)c1ccc(Br)cc1 InChI=1S/C15H13BrFNO2/c1-9(10-2-4-11(16)5-3-10)18-15(20)13-8-12(17)6-7-14(13)19/h2-9,19H,1H3,(H,18,20)/t9-/m1/s1 KFTNEILVDDUXGR-SECBINFHSA-N 50078284 CHEMBL38912::N-[(R)-1-(4-Bromo-phenyl)-ethyl]-5-fluoro-2-hydroxy-benzamide::N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE Scytalone dehydratase Magnaporthe grisea 0.047 ChEMBL 10.1016/s0960-894x(99)00247-4 10.7270/Q2DR2TN4 10386946 Basarab, GS; Jordan, DB; Gehret, TC; Schwartz, RS; Wawrzak, Z FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078284&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search BFS 4STD,1STD 5496910 103970880 CHEMBL38912 ZINC12502774 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136754 CC[C@@]1(C(C)C1(Cl)Cl)C(=O)N[C@H](C)COc1cc(F)ccc1F InChI=1S/C16H19Cl2F2NO2/c1-4-15(10(3)16(15,17)18)14(22)21-9(2)8-23-13-7-11(19)5-6-12(13)20/h5-7,9-10H,4,8H2,1-3H3,(H,21,22)/t9-,10?,15-/m1/s1 MPBOAHOSHQCIGL-XWSNTYHUSA-N 50078268 (R)-2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarboxylic acid [(R)-2-(2,5-difluoro-phenoxy)-1-methyl-ethyl]-amide::CHEMBL296638 Scytalone dehydratase Magnaporthe grisea 0.085000 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078268 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078268&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288283 103970864 CHEMBL296638 ZINC29390087 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136755 C[C@H](COc1cccc(F)c1)NC(=O)[C@@H](C#N)C(C)(C)C InChI=1S/C16H21FN2O2/c1-11(10-21-13-7-5-6-12(17)8-13)19-15(20)14(9-18)16(2,3)4/h5-8,11,14H,10H2,1-4H3,(H,19,20)/t11-,14-/m1/s1 UFAYYMNIGDXDIT-BXUZGUMPSA-N 50078269 (R)-2-Cyano-N-[(R)-2-(3-fluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide::CHEMBL43852 Scytalone dehydratase Magnaporthe grisea 0.240000 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078269 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078269&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288667 103970865 CHEMBL43852 ZINC29344638 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136756 CC[C@@]1(C(C)C1(Cl)Cl)C(=O)NCCCc1ccccc1 InChI=1S/C16H21Cl2NO/c1-3-15(12(2)16(15,17)18)14(20)19-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,19,20)/t12?,15-/m1/s1 VRBLYARLVZCPBC-WPZCJLIBSA-N 50078270 (R)-2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarboxylic acid (3-phenyl-propyl)-amide::CHEMBL291175 Scytalone dehydratase Magnaporthe grisea 1.9 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078270 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078270&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288692 103970866 CHEMBL291175 ZINC29389037 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136757 CC[C@@]1(C(C)C1(Cl)Cl)C(=O)N[C@H](C)COc1ccc(F)cc1 InChI=1S/C16H20Cl2FNO2/c1-4-15(11(3)16(15,17)18)14(21)20-10(2)9-22-13-7-5-12(19)6-8-13/h5-8,10-11H,4,9H2,1-3H3,(H,20,21)/t10-,11?,15-/m1/s1 FCANZSIVCOGJRL-MKOUYDOKSA-N 50078271 (R)-2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarboxylic acid [(R)-2-(4-fluoro-phenoxy)-1-methyl-ethyl]-amide::CHEMBL263419 Scytalone dehydratase Magnaporthe grisea 0.220000 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078271 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078271&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288763 103970867 CHEMBL263419 ZINC29348067 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136758 CC[C@@]1(C(C)C1(Cl)Cl)C(=O)N[C@H](C)COc1ccccc1 InChI=1S/C16H21Cl2NO2/c1-4-15(12(3)16(15,17)18)14(20)19-11(2)10-21-13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,19,20)/t11-,12?,15-/m1/s1 IHMYHDMFLZNJLA-KKXIITGPSA-N 50078272 (R)-2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarboxylic acid ((R)-1-methyl-2-phenoxy-ethyl)-amide::CHEMBL298018 Scytalone dehydratase Magnaporthe grisea 0.170000 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078272 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078272&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288750 103970868 CHEMBL298018 ZINC29341339 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136759 CC[C@@]1(C(C)C1(Cl)Cl)C(=O)NCCOc1ccccc1 InChI=1S/C15H19Cl2NO2/c1-3-14(11(2)15(14,16)17)13(19)18-9-10-20-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,18,19)/t11?,14-/m1/s1 ZULQIVOAZCXRKE-SBXXRYSUSA-N 50078273 (R)-2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarboxylic acid (2-phenoxy-ethyl)-amide::CHEMBL41569 Scytalone dehydratase Magnaporthe grisea 7.5 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078273 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078273&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288280 103970869 CHEMBL41569 ZINC29342005 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136760 CC[C@@]1(C(C)C1(Cl)Cl)C(=O)NC(C)COc1ccccc1 InChI=1S/C16H21Cl2NO2/c1-4-15(12(3)16(15,17)18)14(20)19-11(2)10-21-13-8-6-5-7-9-13/h5-9,11-12H,4,10H2,1-3H3,(H,19,20)/t11?,12?,15-/m1/s1 IHMYHDMFLZNJLA-KOHJWAIASA-N 50078274 (R)-2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarboxylic acid (1-methyl-2-phenoxy-ethyl)-amide::CHEMBL41320 Scytalone dehydratase Magnaporthe grisea 0.380000 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078274 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078274&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288279 103970870 CHEMBL41320 ZINC29341339 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136761 CC[C@@]1(C(C)C1(Cl)Cl)C(=O)N[C@H](C)COc1ccccc1F InChI=1S/C16H20Cl2FNO2/c1-4-15(11(3)16(15,17)18)14(21)20-10(2)9-22-13-8-6-5-7-12(13)19/h5-8,10-11H,4,9H2,1-3H3,(H,20,21)/t10-,11?,15-/m1/s1 KIRZWHZCTTVQKO-MKOUYDOKSA-N 50078275 (R)-2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarboxylic acid [(R)-2-(2-fluoro-phenoxy)-1-methyl-ethyl]-amide::CHEMBL288484 Scytalone dehydratase Magnaporthe grisea 0.370000 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078275 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078275&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288762 103970871 CHEMBL288484 ZINC29342268 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136762 C[C@H](COc1ccccc1)NC(=O)[C@H](C#N)C(C)(C)C InChI=1S/C16H22N2O2/c1-12(11-20-13-8-6-5-7-9-13)18-15(19)14(10-17)16(2,3)4/h5-9,12,14H,11H2,1-4H3,(H,18,19)/t12-,14+/m1/s1 RHFCYORLEUNWBK-OCCSQVGLSA-N 50078276 (S)-2-Cyano-3,3-dimethyl-N-((R)-1-methyl-2-phenoxy-ethyl)-butyramide::CHEMBL290146 Scytalone dehydratase Magnaporthe grisea 66 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078276 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078276&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288152 103970872 CHEMBL290146 ZINC29339374 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136763 CC(COc1cccc(F)c1)NC(=O)[C@@H](C#N)C(C)(C)C InChI=1S/C16H21FN2O2/c1-11(10-21-13-7-5-6-12(17)8-13)19-15(20)14(9-18)16(2,3)4/h5-8,11,14H,10H2,1-4H3,(H,19,20)/t11?,14-/m1/s1 UFAYYMNIGDXDIT-SBXXRYSUSA-N 50078277 (R)-2-Cyano-N-[2-(3-fluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide::CHEMBL40907 Scytalone dehydratase Magnaporthe grisea 0.460000 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078277 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078277&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288644 103970873 CHEMBL40907 ZINC29344638 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136764 C[C@@H](COc1cc(F)ccc1F)NC(=O)[C@H](C#N)C(C)(C)C InChI=1S/C16H20F2N2O2/c1-10(20-15(21)12(8-19)16(2,3)4)9-22-14-7-11(17)5-6-13(14)18/h5-7,10,12H,9H2,1-4H3,(H,20,21)/t10-,12-/m0/s1 QBSPHETXHGBDOW-JQWIXIFHSA-N 50078278 (S)-2-Cyano-N-[(S)-2-(2,5-difluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide::CHEMBL42789 Scytalone dehydratase Magnaporthe grisea 97 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078278 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078278&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288599 103970874 CHEMBL42789 ZINC29392319 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136765 C[C@H](COc1cc(F)ccc1F)NC(=O)[C@@H](C#N)C(C)(C)C InChI=1S/C16H20F2N2O2/c1-10(20-15(21)12(8-19)16(2,3)4)9-22-14-7-11(17)5-6-13(14)18/h5-7,10,12H,9H2,1-4H3,(H,20,21)/t10-,12-/m1/s1 QBSPHETXHGBDOW-ZYHUDNBSSA-N 50078280 (R)-2-Cyano-N-[(R)-2-(2,5-difluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide::CHEMBL38815 Scytalone dehydratase Magnaporthe grisea 0.020000 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078280 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078280&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288228 103970876 CHEMBL38815 ZINC29337424 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136766 CC[C@@]1(C(C)C1(Cl)Cl)C(=O)NC(C)CCc1ccccc1 InChI=1S/C17H23Cl2NO/c1-4-16(13(3)17(16,18)19)15(21)20-12(2)10-11-14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,20,21)/t12?,13?,16-/m1/s1 GRWWSKXCVNWJJF-SEEARECTSA-N 50078279 (R)-2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarboxylic acid (1-methyl-3-phenyl-propyl)-amide::CHEMBL44263 Scytalone dehydratase Magnaporthe grisea 0.830000 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078279 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078279&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288671 103970875 CHEMBL44263 ZINC29392296 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136767 C[C@H](COc1cc(F)ccc1F)NC(=O)C(C#N)C(C)(C)C InChI=1S/C16H20F2N2O2/c1-10(20-15(21)12(8-19)16(2,3)4)9-22-14-7-11(17)5-6-13(14)18/h5-7,10,12H,9H2,1-4H3,(H,20,21)/t10-,12?/m1/s1 QBSPHETXHGBDOW-RWANSRKNSA-N 50078281 2-Cyano-N-[(R)-2-(2,5-difluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide::CHEMBL295533 Scytalone dehydratase Magnaporthe grisea 0.042000 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078281 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078281&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288209 103970877 CHEMBL295533 ZINC29337428 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136768 C[C@@H](NC(=O)c1cc(F)ccc1O)c1ccc(Br)cc1 InChI=1S/C15H13BrFNO2/c1-9(10-2-4-11(16)5-3-10)18-15(20)13-8-12(17)6-7-14(13)19/h2-9,19H,1H3,(H,18,20)/t9-/m1/s1 KFTNEILVDDUXGR-SECBINFHSA-N 50078284 CHEMBL38912::N-[(R)-1-(4-Bromo-phenyl)-ethyl]-5-fluoro-2-hydroxy-benzamide::N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE Scytalone dehydratase Magnaporthe grisea 0.047 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078284&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search BFS 4STD,1STD 5496910 103970880 CHEMBL38912 ZINC12502774 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136769 CC(COc1ccccc1F)NC(=O)C(C#N)C(C)(C)C InChI=1S/C16H21FN2O2/c1-11(10-21-14-8-6-5-7-13(14)17)19-15(20)12(9-18)16(2,3)4/h5-8,11-12H,10H2,1-4H3,(H,19,20) OWBOTHLJLVKRNW-UHFFFAOYSA-N 50078282 2-Cyano-N-[2-(2-fluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide::CHEMBL287765 Scytalone dehydratase Magnaporthe grisea 0.240000 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078282 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078282&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288643 103970878 CHEMBL287765 ZINC29344629 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136770 C[C@H](COc1ccccc1)NC(=O)c1cc(F)ccc1O InChI=1S/C16H16FNO3/c1-11(10-21-13-5-3-2-4-6-13)18-16(20)14-9-12(17)7-8-15(14)19/h2-9,11,19H,10H2,1H3,(H,18,20)/t11-/m1/s1 VYQNWAAYPPPNHM-LLVKDONJSA-N 50078283 5-Fluoro-2-hydroxy-N-((R)-1-methyl-2-phenoxy-ethyl)-benzamide::CHEMBL43853 Scytalone dehydratase Magnaporthe grisea 0.440 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078283 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078283&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288668 103970879 CHEMBL43853 ZINC29393208 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136771 CC[C@@]1(C(C)C1(Cl)Cl)C(=O)N[C@H](C)COc1cccc(F)c1 InChI=1S/C16H20Cl2FNO2/c1-4-15(11(3)16(15,17)18)14(21)20-10(2)9-22-13-7-5-6-12(19)8-13/h5-8,10-11H,4,9H2,1-3H3,(H,20,21)/t10-,11?,15-/m1/s1 MHGSLISIVPHOOR-MKOUYDOKSA-N 50078289 (R)-2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarboxylic acid [(R)-2-(3-fluoro-phenoxy)-1-methyl-ethyl]-amide::CHEMBL43445 Scytalone dehydratase Magnaporthe grisea 0.110000 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078289 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078289&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288748 103970885 CHEMBL43445 ZINC29393015 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136772 C[C@H](COc1cc(F)ccc1F)NC(=O)[C@H](C#N)C(C)(C)C InChI=1S/C16H20F2N2O2/c1-10(20-15(21)12(8-19)16(2,3)4)9-22-14-7-11(17)5-6-13(14)18/h5-7,10,12H,9H2,1-4H3,(H,20,21)/t10-,12+/m1/s1 QBSPHETXHGBDOW-PWSUYJOCSA-N 50078286 (S)-2-Cyano-N-[(R)-2-(2,5-difluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide::CHEMBL38816 Scytalone dehydratase Magnaporthe grisea 0.730000 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078286 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078286&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288229 103970882 CHEMBL38816 ZINC29337428 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136773 CC[C@@]1(C(C)C1(Cl)Cl)C(=O)N[C@H](C)COc1cccc(F)c1F InChI=1S/C16H19Cl2F2NO2/c1-4-15(10(3)16(15,17)18)14(22)21-9(2)8-23-12-7-5-6-11(19)13(12)20/h5-7,9-10H,4,8H2,1-3H3,(H,21,22)/t9-,10?,15-/m1/s1 OCUQJTPXKPRLCC-XWSNTYHUSA-N 50078291 (R)-2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarboxylic acid [(R)-2-(2,3-difluoro-phenoxy)-1-methyl-ethyl]-amide::CHEMBL295108 Scytalone dehydratase Magnaporthe grisea 2.2 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078291 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078291&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288300 103970887 CHEMBL295108 ZINC29392399 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136774 CC(C)(C)C(C#N)C(=O)NCCCc1ccccc1 InChI=1S/C16H22N2O/c1-16(2,3)14(12-17)15(19)18-11-7-10-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-11H2,1-3H3,(H,18,19) NQTLVOZBUNWPRM-UHFFFAOYSA-N 50078285 2-Cyano-3,3-dimethyl-N-(3-phenyl-propyl)-butyramide::CHEMBL289085 Scytalone dehydratase Magnaporthe grisea 14 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078285 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078285&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288459 103970881 CHEMBL289085 ZINC29345096 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136775 C[C@@H](COc1cc(F)ccc1F)NC(=O)[C@@H](C#N)C(C)(C)C InChI=1S/C16H20F2N2O2/c1-10(20-15(21)12(8-19)16(2,3)4)9-22-14-7-11(17)5-6-13(14)18/h5-7,10,12H,9H2,1-4H3,(H,20,21)/t10-,12+/m0/s1 QBSPHETXHGBDOW-CMPLNLGQSA-N 50078287 (R)-2-Cyano-N-[(S)-2-(2,5-difluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide::CHEMBL44315 Scytalone dehydratase Magnaporthe grisea 7.7 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078287 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078287&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288207 103970883 CHEMBL44315 ZINC29391422 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136776 C[C@H](COc1ccccc1F)NC(=O)[C@@H](C#N)C(C)(C)C InChI=1S/C16H21FN2O2/c1-11(10-21-14-8-6-5-7-13(14)17)19-15(20)12(9-18)16(2,3)4/h5-8,11-12H,10H2,1-4H3,(H,19,20)/t11-,12-/m1/s1 OWBOTHLJLVKRNW-VXGBXAGGSA-N 50078290 (R)-2-Cyano-N-[(R)-2-(2-fluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide::CHEMBL295019 Scytalone dehydratase Magnaporthe grisea 0.080000 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078290 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078290&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288298 103970886 CHEMBL295019 ZINC29344622 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136777 C[C@H](COc1ccc(F)cc1)NC(=O)C(C#N)C(C)(C)C InChI=1S/C16H21FN2O2/c1-11(10-21-13-7-5-12(17)6-8-13)19-15(20)14(9-18)16(2,3)4/h5-8,11,14H,10H2,1-4H3,(H,19,20)/t11-,14?/m1/s1 QMFJMSKRWORECV-YNODCEANSA-N 50078288 2-Cyano-N-[(R)-2-(4-fluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide::CHEMBL42731 Scytalone dehydratase Magnaporthe grisea 1.7 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078288 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078288&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288299 103970884 CHEMBL42731 ZINC29392393 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136778 CC(COc1ccccc1)NC(=O)C(C#N)C(C)(C)C InChI=1S/C16H22N2O2/c1-12(11-20-13-8-6-5-7-9-13)18-15(19)14(10-17)16(2,3)4/h5-9,12,14H,11H2,1-4H3,(H,18,19) RHFCYORLEUNWBK-UHFFFAOYSA-N 50078292 2-Cyano-3,3-dimethyl-N-(1-methyl-2-phenoxy-ethyl)-butyramide::CHEMBL41419 Scytalone dehydratase Magnaporthe grisea 2.8 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078292 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078292&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288516 103970888 CHEMBL41419 ZINC29339374 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136779 CC[C@@]1(C(C)C1(Cl)Cl)C(=O)N[C@@H](C)COc1cc(F)ccc1F InChI=1S/C16H19Cl2F2NO2/c1-4-15(10(3)16(15,17)18)14(22)21-9(2)8-23-13-7-11(19)5-6-12(13)20/h5-7,9-10H,4,8H2,1-3H3,(H,21,22)/t9-,10?,15+/m0/s1 MPBOAHOSHQCIGL-JGQSAAPQSA-N 50078296 (R)-2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarboxylic acid [(S)-2-(2,5-difluoro-phenoxy)-1-methyl-ethyl]-amide::CHEMBL41610 Scytalone dehydratase Magnaporthe grisea 33 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078296 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078296&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288248 103970892 CHEMBL41610 ZINC29345164 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136780 CC(CCc1ccccc1)NC(=O)C(C#N)C(C)(C)C InChI=1S/C17H24N2O/c1-13(10-11-14-8-6-5-7-9-14)19-16(20)15(12-18)17(2,3)4/h5-9,13,15H,10-11H2,1-4H3,(H,19,20) QPLWPYRSFCLKPQ-UHFFFAOYSA-N 50078295 2-Cyano-3,3-dimethyl-N-(1-methyl-3-phenyl-propyl)-butyramide::CHEMBL416427 Scytalone dehydratase Magnaporthe grisea 7.2 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078295 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078295&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288540 103970891 CHEMBL416427 ZINC29345554 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136781 C[C@H](COc1cccc(F)c1F)NC(=O)[C@@H](C#N)C(C)(C)C InChI=1S/C16H20F2N2O2/c1-10(20-15(21)11(8-19)16(2,3)4)9-22-13-7-5-6-12(17)14(13)18/h5-7,10-11H,9H2,1-4H3,(H,20,21)/t10-,11-/m1/s1 NMSVRLHWTREVBG-GHMZBOCLSA-N 50078293 (R)-2-Cyano-N-[(R)-2-(2,3-difluoro-phenoxy)-1-methyl-ethyl]-3,3-dimethyl-butyramide::CHEMBL287764 Scytalone dehydratase Magnaporthe grisea 0.950000 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078293 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078293&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288642 103970889 CHEMBL287764 ZINC29344613 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136784 CC(C)C(C#N)C(=O)N[C@H](C)[C@@H](Oc1cc(F)ccc1C#N)c1ccccc1 InChI=1S/C22H22FN3O2/c1-14(2)19(13-25)22(27)26-15(3)21(16-7-5-4-6-8-16)28-20-11-18(23)10-9-17(20)12-24/h4-11,14-15,19,21H,1-3H3,(H,26,27)/t15-,19?,21-/m1/s1 CVLMLQAJUKLHIW-RGWUMTFWSA-N 50078297 2-Cyano-N-[(1R,2S)-2-(2-cyano-5-fluoro-phenoxy)-1-methyl-2-phenyl-ethyl]-3-methyl-butyramide::CHEMBL296357 Scytalone dehydratase Magnaporthe grisea 0.034 ChEMBL 10.1016/s0960-894x(99)00247-4 10.7270/Q2DR2TN4 10386946 Basarab, GS; Jordan, DB; Gehret, TC; Schwartz, RS; Wawrzak, Z FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078297 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078297&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288559 103970893 CHEMBL296357 ZINC29391722 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136785 C[C@@H](NC(=O)C(C#N)C1CC1)[C@@H](Oc1cc(F)ccc1F)c1ccccc1 InChI=1S/C21H20F2N2O2/c1-13(25-21(26)17(12-24)14-7-8-14)20(15-5-3-2-4-6-15)27-19-11-16(22)9-10-18(19)23/h2-6,9-11,13-14,17,20H,7-8H2,1H3,(H,25,26)/t13-,17?,20-/m1/s1 SWLAKWKAZNBZBM-SJRGXIAMSA-N 50078298 2-Cyano-2-cyclopropyl-N-[(1R,2S)-2-(2,5-difluoro-phenoxy)-1-methyl-2-phenyl-ethyl]-acetamide::CHEMBL41328 Scytalone dehydratase Magnaporthe grisea 0.014 ChEMBL 10.1016/s0960-894x(99)00247-4 10.7270/Q2DR2TN4 10386946 Basarab, GS; Jordan, DB; Gehret, TC; Schwartz, RS; Wawrzak, Z FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078298 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078298&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288172 103970894 CHEMBL41328 ZINC29342239 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136786 CCC(C#N)C(=O)N[C@H](C)COc1cc(F)ccc1F InChI=1S/C14H16F2N2O2/c1-3-10(7-17)14(19)18-9(2)8-20-13-6-11(15)4-5-12(13)16/h4-6,9-10H,3,8H2,1-2H3,(H,18,19)/t9-,10?/m1/s1 QDWPHIQUKRUYGV-YHMJZVADSA-N 50078299 2-Cyano-N-[(R)-2-(2,5-difluoro-phenoxy)-1-methyl-ethyl]-butyramide::CHEMBL290279 Scytalone dehydratase Magnaporthe grisea 5.50 ChEMBL 10.1016/s0960-894x(99)00247-4 10.7270/Q2DR2TN4 10386946 Basarab, GS; Jordan, DB; Gehret, TC; Schwartz, RS; Wawrzak, Z FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078299 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078299&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288604 103970895 CHEMBL290279 ZINC29395931 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50136787 CC(C)C(C#N)C(=O)N[C@H](C)[C@@H](Oc1cc(F)ccc1F)c1ccccc1 InChI=1S/C21H22F2N2O2/c1-13(2)17(12-24)21(26)25-14(3)20(15-7-5-4-6-8-15)27-19-11-16(22)9-10-18(19)23/h4-11,13-14,17,20H,1-3H3,(H,25,26)/t14-,17?,20-/m1/s1 CZXRBWOGEFTFQZ-LOPWJBSJSA-N 50078300 2-Cyano-N-[(1R,2S)-2-(2,5-difluoro-phenoxy)-1-methyl-2-phenyl-ethyl]-3-methyl-butyramide::CHEMBL41555 Scytalone dehydratase Magnaporthe grisea 0.076 ChEMBL 10.1016/s0960-894x(99)00247-4 10.7270/Q2DR2TN4 10386946 Basarab, GS; Jordan, DB; Gehret, TC; Schwartz, RS; Wawrzak, Z FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078300 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078300&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288454 103970896 CHEMBL41555 ZINC29344698 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50141917 C[C@H](COc1ccccc1F)NC(=O)C1(CC(C)(Cl)C1)C(F)(F)F InChI=1S/C16H18ClF4NO2/c1-10(7-24-12-6-4-3-5-11(12)18)22-13(23)15(16(19,20)21)8-14(2,17)9-15/h3-6,10H,7-9H2,1-2H3,(H,22,23)/t10-,14?,15?/m1/s1 QHHDVXLBHHBKLP-SFNBMPIDSA-N 50080935 3-Chloro-3-methyl-1-trifluoromethyl-cyclobutanecarboxylic acid [(R)-2-(2-fluoro-phenoxy)-1-methyl-ethyl]-amide::CHEMBL85505 Scytalone dehydratase Magnaporthe grisea 0.780000 ChEMBL 10.1016/s0960-894x(99)00424-2 10.7270/Q2VD6XNG 10498198 Jennings, LD; Wawrzak, Z; Amorose, D; Schwartz, RS; Jordan, DB FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080935&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 23550318 103981034 CHEMBL85505 ZINC26568179 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50141919 CC(NC(=O)C1(CC(C)(Cl)C1)C(F)(F)F)c1ccc(Oc2ccccc2)cc1 InChI=1S/C21H21ClF3NO2/c1-14(26-18(27)20(21(23,24)25)12-19(2,22)13-20)15-8-10-17(11-9-15)28-16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3,(H,26,27) BDFXEQUXPBUFOF-UHFFFAOYSA-N 50080937 3-Chloro-3-methyl-1-trifluoromethyl-cyclobutanecarboxylic acid [1-(4-phenoxy-phenyl)-ethyl]-amide::CHEMBL83951 Scytalone dehydratase Magnaporthe grisea 5.6 ChEMBL 10.1016/s0960-894x(99)00424-2 10.7270/Q2VD6XNG 10498198 Jennings, LD; Wawrzak, Z; Amorose, D; Schwartz, RS; Jordan, DB FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080937 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080937&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44318364 103981036 CHEMBL83951 ZINC26501770 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50141921 CC(CCc1ccccc1)NC(=O)C1(CC(C)(Cl)C1)C(F)(F)F InChI=1S/C17H21ClF3NO/c1-12(8-9-13-6-4-3-5-7-13)22-14(23)16(17(19,20)21)10-15(2,18)11-16/h3-7,12H,8-11H2,1-2H3,(H,22,23) XHAVKNKCVAKHJX-UHFFFAOYSA-N 50080938 3-Chloro-3-methyl-1-trifluoromethyl-cyclobutanecarboxylic acid (1-methyl-3-phenyl-propyl)-amide::CHEMBL312838 Scytalone dehydratase Magnaporthe grisea 8.6 ChEMBL 10.1016/s0960-894x(99)00424-2 10.7270/Q2VD6XNG 10498198 Jennings, LD; Wawrzak, Z; Amorose, D; Schwartz, RS; Jordan, DB FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50080938 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50080938&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44318393 103981037 CHEMBL312838 ZINC26568634 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50154387 CC[C@]1([C@@H](C)C1(Cl)Cl)C(=O)N[C@H](C)c1ccc(Cl)cc1 InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)/t9-,10-,14+/m1/s1 RXDMAYSSBPYBFW-RULNRJAQSA-N 50086741 ((1RS,3SR)-2,2-DICHLORO-N-[(R)-1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-3-METHYLCYCLOPROPANECARBOXAMIDE::(1S,3R)-2,2-dichloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-1-ethyl-3-methylcyclopropanecarboxamide::CHEMBL147792 Scytalone dehydratase Magnaporthe grisea 0.030 ChEMBL 10.1016/s0960-894x(00)00037-8 10.7270/Q2D799ND 10743955 Liao, DI; Basarab, GS; Gatenby, AA; Jordan, DB DuPont Pharmaceuticals Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086741 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086741&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search CRP 7STD,2STD 449402 103985870 47351 CHEMBL147792 C10932 ZINC06424732 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50154388 Fc1ccc(F)c(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccccc3)cc2)c1 InChI=1S/C22H17F2N3O3S2/c23-16-7-12-19(24)20(14-16)27-32(29,30)18-10-8-17(9-11-18)25-22(31)26-21(28)13-6-15-4-2-1-3-5-15/h1-14,27H,(H2,25,26,28,31) HXZCQTGJBYQSSB-UHFFFAOYSA-N 50086743 CHEMBL358101::N-(2,5-Difluoro-phenyl)-4-{3-[(E)-(3-phenyl-acryloyl)]-thioureido}-benzenesulfonamide Scytalone dehydratase Magnaporthe grisea 6.4 ChEMBL 10.1016/s0960-894x(00)00037-8 10.7270/Q2D799ND 10743955 Liao, DI; Basarab, GS; Gatenby, AA; Jordan, DB DuPont Pharmaceuticals Company http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50086743 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50086743&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44364141 103985871 CHEMBL358101 ZINC27556725 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50148649 C[C@@H](NC(=O)c1cc(F)ccc1O)c1ccc(Br)cc1 InChI=1S/C15H13BrFNO2/c1-9(10-2-4-11(16)5-3-10)18-15(20)13-8-12(17)6-7-14(13)19/h2-9,19H,1H3,(H,18,20)/t9-/m1/s1 KFTNEILVDDUXGR-SECBINFHSA-N 50078284 CHEMBL38912::N-[(R)-1-(4-Bromo-phenyl)-ethyl]-5-fluoro-2-hydroxy-benzamide::N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE Scytalone dehydratase Magnaporthe grisea 46 ChEMBL 10.1016/s0960-894x(99)00586-7 10.7270/Q247493V 10636235 Jordan, DB; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078284 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078284&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search BFS 4STD,1STD 5496910 103970880 CHEMBL38912 ZINC12502774 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50467110 Oc1ccccc1C(=O)NCCCc1ccccc1 InChI=1S/C16H17NO2/c18-15-11-5-4-10-14(15)16(19)17-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,18H,6,9,12H2,(H,17,19) NCGDIICSZWHCQX-UHFFFAOYSA-N 50282105 2-Hydroxy-N-(3-phenyl-propyl)-benzamide::CHEMBL290426::cid_2287872 Scytalone dehydratase Magnaporthe grisea 7.30 7 ChEMBL 10.1016/S0960-894X(00)80026-8 10.7270/Q2WD40GM Hodge, C; Pierce, J TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50282105 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50282105&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 2287872 104123779 CHEMBL290426 ZINC02989649 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50467113 C(CNc1ncnc2ccccc12)Cc1ccccc1 InChI=1S/C17H17N3/c1-2-7-14(8-3-1)9-6-12-18-17-15-10-4-5-11-16(15)19-13-20-17/h1-5,7-8,10-11,13H,6,9,12H2,(H,18,19,20) OAPMCZLOWYUSSD-UHFFFAOYSA-N 50282106 (3-Phenyl-propyl)-quinazolin-4-yl-amine::CHEMBL42565::N-(3-phenylpropyl)quinazolin-4-amine Scytalone dehydratase Magnaporthe grisea 1800 7 ChEMBL 10.1016/S0960-894X(00)80026-8 10.7270/Q2WD40GM Hodge, C; Pierce, J TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50282106 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50282106&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288306 104123780 CHEMBL42565 ZINC13476428 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50467114 C(CNc1nccc2ccccc12)Cc1ccccc1 InChI=1S/C18H18N2/c1-2-7-15(8-3-1)9-6-13-19-18-17-11-5-4-10-16(17)12-14-20-18/h1-5,7-8,10-12,14H,6,9,13H2,(H,19,20) ZRAIUMVYTFUMKD-UHFFFAOYSA-N 50282107 CHEMBL289792::Isoquinolin-1-yl-(3-phenyl-propyl)-amine Scytalone dehydratase Magnaporthe grisea 2300 9.8 ChEMBL 10.1016/S0960-894X(00)80026-8 10.7270/Q2WD40GM Hodge, C; Pierce, J TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50282107 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50282107&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288035 104123781 CHEMBL289792 ZINC29343783 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50467115 C(CNc1ccnc2ccccc12)Cc1ccccc1 InChI=1S/C18H18N2/c1-2-7-15(8-3-1)9-6-13-19-18-12-14-20-17-11-5-4-10-16(17)18/h1-5,7-8,10-12,14H,6,9,13H2,(H,19,20) GVBBPBHXCFPAPH-UHFFFAOYSA-N 50282108 (3-Phenyl-propyl)-quinolin-4-yl-amine::CHEMBL41909 Scytalone dehydratase Magnaporthe grisea 88000 7 ChEMBL 10.1016/S0960-894X(00)80026-8 10.7270/Q2WD40GM Hodge, C; Pierce, J TBA http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50282108 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50282108&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 19094087 104123782 CHEMBL41909 ZINC29348018 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50009522 C[C@H](COc1ccccc1)NC(=O)[C@@H](C#N)C(C)(C)C InChI=1S/C16H22N2O2/c1-12(11-20-13-8-6-5-7-9-13)18-15(19)14(10-17)16(2,3)4/h5-9,12,14H,11H2,1-4H3,(H,18,19)/t12-,14-/m1/s1 RHFCYORLEUNWBK-TZMCWYRMSA-N 50078294 (R)-2-Cyano-3,3-dimethyl-N-((R)-1-methyl-2-phenoxy-ethyl)-butyramide::CHEMBL40347 Scytalone dehydratase Magnaporthe grisea 0.580000 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078294&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288153 103970890 CHEMBL40347 ZINC29339368 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50011755 CC(C)NC(=O)c1cc(F)ccc1O InChI=1S/C10H12FNO2/c1-6(2)12-10(14)8-5-7(11)3-4-9(8)13/h3-6,13H,1-2H3,(H,12,14) OQHZTWFYOJLOMH-UHFFFAOYSA-N 50084016 5-Fluoro-2-hydroxy-N-isopropyl-benzamide::CHEMBL84730 Scytalone dehydratase Magnaporthe grisea 450 ChEMBL 10.1016/s0960-894x(99)00586-7 10.7270/Q247493V 10636235 Jordan, DB; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50084016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50084016&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44321262 103983614 CHEMBL84730 ZINC26577365 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50011756 CC(C)NC(=O)c1cc(F)ccc1O InChI=1S/C10H12FNO2/c1-6(2)12-10(14)8-5-7(11)3-4-9(8)13/h3-6,13H,1-2H3,(H,12,14) OQHZTWFYOJLOMH-UHFFFAOYSA-N 50084016 5-Fluoro-2-hydroxy-N-isopropyl-benzamide::CHEMBL84730 Scytalone dehydratase Magnaporthe grisea 9100 ChEMBL 10.1016/s0960-894x(99)00586-7 10.7270/Q247493V 10636235 Jordan, DB; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50084016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50084016&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44321262 103983614 CHEMBL84730 ZINC26577365 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50011757 CC(C)NC(=O)c1cc(F)ccc1O InChI=1S/C10H12FNO2/c1-6(2)12-10(14)8-5-7(11)3-4-9(8)13/h3-6,13H,1-2H3,(H,12,14) OQHZTWFYOJLOMH-UHFFFAOYSA-N 50084016 5-Fluoro-2-hydroxy-N-isopropyl-benzamide::CHEMBL84730 Scytalone dehydratase Magnaporthe grisea 85 ChEMBL 10.1016/s0960-894x(99)00586-7 10.7270/Q247493V 10636235 Jordan, DB; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50084016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50084016&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44321262 103983614 CHEMBL84730 ZINC26577365 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50148648 CC(C)NC(=O)c1cc(F)ccc1O InChI=1S/C10H12FNO2/c1-6(2)12-10(14)8-5-7(11)3-4-9(8)13/h3-6,13H,1-2H3,(H,12,14) OQHZTWFYOJLOMH-UHFFFAOYSA-N 50084016 5-Fluoro-2-hydroxy-N-isopropyl-benzamide::CHEMBL84730 Scytalone dehydratase Magnaporthe grisea 160 ChEMBL 10.1016/s0960-894x(99)00586-7 10.7270/Q247493V 10636235 Jordan, DB; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50084016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50084016&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44321262 103983614 CHEMBL84730 ZINC26577365 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50579396 CC(C)NC(=O)c1cc(F)ccc1O InChI=1S/C10H12FNO2/c1-6(2)12-10(14)8-5-7(11)3-4-9(8)13/h3-6,13H,1-2H3,(H,12,14) OQHZTWFYOJLOMH-UHFFFAOYSA-N 50084016 5-Fluoro-2-hydroxy-N-isopropyl-benzamide::CHEMBL84730 Scytalone dehydratase Magnaporthe grisea 4000 ChEMBL 10.1016/s0960-894x(99)00586-7 10.7270/Q247493V 10636235 Jordan, DB; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50084016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50084016&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44321262 103983614 CHEMBL84730 ZINC26577365 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50579397 CC(C)NC(=O)c1cc(F)ccc1O InChI=1S/C10H12FNO2/c1-6(2)12-10(14)8-5-7(11)3-4-9(8)13/h3-6,13H,1-2H3,(H,12,14) OQHZTWFYOJLOMH-UHFFFAOYSA-N 50084016 5-Fluoro-2-hydroxy-N-isopropyl-benzamide::CHEMBL84730 Scytalone dehydratase Magnaporthe grisea 71000 ChEMBL 10.1016/s0960-894x(99)00586-7 10.7270/Q247493V 10636235 Jordan, DB; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50084016 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50084016&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44321262 103983614 CHEMBL84730 ZINC26577365 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 50063092 C[C@H](COc1ccccc1)NC(=O)[C@@H](C#N)C(C)(C)C InChI=1S/C16H22N2O2/c1-12(11-20-13-8-6-5-7-9-13)18-15(19)14(10-17)16(2,3)4/h5-9,12,14H,11H2,1-4H3,(H,18,19)/t12-,14-/m1/s1 RHFCYORLEUNWBK-TZMCWYRMSA-N 50078294 (R)-2-Cyano-3,3-dimethyl-N-((R)-1-methyl-2-phenoxy-ethyl)-butyramide::CHEMBL40347 Scytalone dehydratase Magnaporthe grisea 0.580 ChEMBL 10.1016/s0960-894x(99)00246-2 10.7270/Q2JH3KBD 10386945 Jordan, DB; Lessen, TA; Wawrzak, Z; Bisaha, JJ; Gehret, TC; Hansen, SL; Schwartz, RS; Basarab, GS FMC Stine Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078294 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078294&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288153 103970890 CHEMBL40347 ZINC29339368 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184107 C[C@H](COc1cc(F)ccc1Cl)NC(=O)[C@@]1(C)C[C@@](C)(Cl)C1 InChI=1S/C16H20Cl2FNO2/c1-10(7-22-13-6-11(19)4-5-12(13)17)20-14(21)15(2)8-16(3,18)9-15/h4-6,10H,7-9H2,1-3H3,(H,20,21)/t10-,15-,16+/m1/s1 BMANTRXNTKLEHZ-GTTSAUCSSA-N 50486952 CHEMBL2251854 Scytalone dehydratase Magnaporthe grisea 0.057000 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486952 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486952&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 76326355 433954217 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184108 C[C@@H](NC(=O)[C@@]1(C)C[C@@](C)(Cl)C1)c1ccc(Br)cc1 InChI=1S/C15H19BrClNO/c1-10(11-4-6-12(16)7-5-11)18-13(19)14(2)8-15(3,17)9-14/h4-7,10H,8-9H2,1-3H3,(H,18,19)/t10-,14-,15+/m1/s1 XSURZDBTSSWRFF-KMUNFCNLSA-N 50486953 CHEMBL2251861 Scytalone dehydratase Magnaporthe grisea 0.100000 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486953 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486953&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 23550321 433954218 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184109 C[C@@H](NC(=O)[C@@]1(C[C@@](C)(Cl)C1)C(F)(F)F)c1ccc(Cl)cc1 InChI=1S/C15H16Cl2F3NO/c1-9(10-3-5-11(16)6-4-10)21-12(22)14(15(18,19)20)7-13(2,17)8-14/h3-6,9H,7-8H2,1-2H3,(H,21,22)/t9-,13-,14+/m1/s1 VOSDFABOXMDDFU-FZQKWOKYSA-N 50486954 CHEMBL2251875 Scytalone dehydratase Magnaporthe grisea 0.067000 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486954 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486954&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 23550325 433954219 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184110 CC[C@]1(O)C[C@](C)(C1)C(=O)N[C@H](C)c1ccc(Br)cc1 InChI=1S/C16H22BrNO2/c1-4-16(20)9-15(3,10-16)14(19)18-11(2)12-5-7-13(17)8-6-12/h5-8,11,20H,4,9-10H2,1-3H3,(H,18,19)/t11-,15-,16+/m1/s1 ZACJZNFOGXCIGL-LYRGGWFBSA-N 50486955 CHEMBL2251868 Scytalone dehydratase Magnaporthe grisea 3.2 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486955 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486955&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 76319133 433954220 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184111 CC(C)C(C)(NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)C#N InChI=1S/C15H18Cl2N2O2/c1-9(2)15(4,8-18)19-14(20)10(3)21-13-6-5-11(16)7-12(13)17/h5-7,9-10H,1-4H3,(H,19,20)/t10-,15?/m0/s1 IUOKJNROJISWRO-MYHCZTBNSA-N 50486956 CHEMBL2251991 Scytalone dehydratase Magnaporthe grisea 0.130 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486956 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486956&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 69117064 433954221 C18519 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184112 C[C@@H](NC(=O)[C@@]1(C)C[C@@](C)(Cl)C1)c1cccc2ccccc12 InChI=1S/C19H22ClNO/c1-13(21-17(22)18(2)11-19(3,20)12-18)15-10-6-8-14-7-4-5-9-16(14)15/h4-10,13H,11-12H2,1-3H3,(H,21,22)/t13-,18-,19+/m1/s1 BQSDVJYVINAIPB-ZNOIYHFQSA-N 50486957 CHEMBL2251870 Scytalone dehydratase Magnaporthe grisea 3.2 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486957 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486957&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 76319134 433954222 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184113 C[C@@H](NC(=O)[C@@]1(C)C[C@@](C)(Cl)C1)c1ccc(Cl)cc1Cl InChI=1S/C15H18Cl3NO/c1-9(11-5-4-10(16)6-12(11)17)19-13(20)14(2)7-15(3,18)8-14/h4-6,9H,7-8H2,1-3H3,(H,19,20)/t9-,14-,15+/m1/s1 HSIXGMQSSKXAAP-ZWZTZDBGSA-N 50486958 CHEMBL2251869 Scytalone dehydratase Magnaporthe grisea 0.012000 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486958 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486958&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 23550315 433954223 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184114 C[C@@H](NC(=O)[C@@]1(C)C[C@@](C)(O)C1)c1ccc(Br)cc1 InChI=1S/C15H20BrNO2/c1-10(11-4-6-12(16)7-5-11)17-13(18)14(2)8-15(3,19)9-14/h4-7,10,19H,8-9H2,1-3H3,(H,17,18)/t10-,14-,15+/m1/s1 OQDPCGZROKBOIV-KMUNFCNLSA-N 50486959 CHEMBL2251865 Scytalone dehydratase Magnaporthe grisea 480 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486959 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486959&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 76308260 433954224 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184115 CC[C@@]1(C[C@@](C)(Cl)C1)C(=O)N[C@H](C)c1ccc(Br)cc1 InChI=1S/C16H21BrClNO/c1-4-16(9-15(3,18)10-16)14(20)19-11(2)12-5-7-13(17)8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H,19,20)/t11-,15-,16+/m1/s1 YXGCFDMUXBPNQU-LYRGGWFBSA-N 50486960 CHEMBL2251864 Scytalone dehydratase Magnaporthe grisea 0.021000 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486960 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486960&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 76322795 433954225 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184116 C[C@@H](NC(=O)[C@]1(C)C[C@@](Cl)(CCl)C1)c1ccc(Br)cc1 InChI=1S/C15H18BrCl2NO/c1-10(11-3-5-12(16)6-4-11)19-13(20)14(2)7-15(18,8-14)9-17/h3-6,10H,7-9H2,1-2H3,(H,19,20)/t10-,14-,15+/m1/s1 GHWOIRDPMOKWCX-KMUNFCNLSA-N 50486961 CHEMBL2251863 Scytalone dehydratase Magnaporthe grisea 0.016000 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486961 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486961&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 23550322 433954226 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184117 C[C@@H](NC(=O)C1(Cl)CC(C)(Cl)C1)c1ccc(Br)cc1 InChI=1S/C14H16BrCl2NO/c1-9(10-3-5-11(15)6-4-10)18-12(19)14(17)7-13(2,16)8-14/h3-6,9H,7-8H2,1-2H3,(H,18,19)/t9-,13?,14?/m1/s1 SXOSGAFYZFFTEK-BZFQTPOWSA-N 50486962 CHEMBL2251860 Scytalone dehydratase Magnaporthe grisea 0.310000 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486962 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486962&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 76322794 433954227 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184118 C[C@@H](NC(=O)C1(C)CC(F)(F)C1)c1ccc(Br)cc1 InChI=1S/C14H16BrF2NO/c1-9(10-3-5-11(15)6-4-10)18-12(19)13(2)7-14(16,17)8-13/h3-6,9H,7-8H2,1-2H3,(H,18,19)/t9-/m1/s1 ILRPZWLINQPOKW-SECBINFHSA-N 50486963 CHEMBL2251859 Scytalone dehydratase Magnaporthe grisea 6.0 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486963 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486963&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 69471397 433954228 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184119 C[C@H](COc1ccccc1F)NC(=O)[C@@]1(C[C@@](C)(Cl)C1)C(F)(F)F InChI=1S/C16H18ClF4NO2/c1-10(7-24-12-6-4-3-5-11(12)18)22-13(23)15(16(19,20)21)8-14(2,17)9-15/h3-6,10H,7-9H2,1-2H3,(H,22,23)/t10-,14-,15+/m1/s1 QHHDVXLBHHBKLP-KMUNFCNLSA-N 50486964 CHEMBL2251855 Scytalone dehydratase Magnaporthe grisea 0.350000 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486964 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486964&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 23550318 433954229 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184120 C[C@@H](NC(=O)[C@@]1(C[C@@](C)(Cl)C1)C(F)(F)F)c1ccc(Br)cc1 InChI=1S/C15H16BrClF3NO/c1-9(10-3-5-11(16)6-4-10)21-12(22)14(15(18,19)20)7-13(2,17)8-14/h3-6,9H,7-8H2,1-2H3,(H,21,22)/t9-,13-,14+/m1/s1 LEYXBSWEVKZDEW-FZQKWOKYSA-N 50486965 CHEMBL2251874 Scytalone dehydratase Magnaporthe grisea 0.430000 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486965 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486965&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 23550323 433954230 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184121 C[C@@H](NC(=O)[C@]1(C[C@@](C)(Cl)C1)C(F)(F)F)c1ccc(Br)cc1 InChI=1S/C15H16BrClF3NO/c1-9(10-3-5-11(16)6-4-10)21-12(22)14(15(18,19)20)7-13(2,17)8-14/h3-6,9H,7-8H2,1-2H3,(H,21,22)/t9-,13-,14-/m1/s1 LEYXBSWEVKZDEW-OWYVNGRQSA-N 50486966 CHEMBL2114191 Scytalone dehydratase Magnaporthe grisea 0.026000 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486966 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486966&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 23550323 433954231 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184122 C[C@@H](NC(=O)C(C#N)C(C)(C)C)c1ccc(Cl)cc1Cl InChI=1S/C15H18Cl2N2O/c1-9(11-6-5-10(16)7-13(11)17)19-14(20)12(8-18)15(2,3)4/h5-7,9,12H,1-4H3,(H,19,20)/t9-,12?/m1/s1 YEJGPFZQLRMXOI-PKEIRNPWSA-N 50486967 CHEBI:81799::DICLOCYMET Scytalone dehydratase Magnaporthe grisea 0.036 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486967 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486967&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 11527333 433954232 C18518 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184123 C[C@H](COc1cc(F)ccc1F)NC(=O)[C@@]1(C)C[C@@](C)(Cl)C1 InChI=1S/C16H20ClF2NO2/c1-10(7-22-13-6-11(18)4-5-12(13)19)20-14(21)15(2)8-16(3,17)9-15/h4-6,10H,7-9H2,1-3H3,(H,20,21)/t10-,15-,16+/m1/s1 LAQLQYUJXGLRHS-GTTSAUCSSA-N 50486968 CHEMBL2251873 Scytalone dehydratase Magnaporthe grisea 0.420000 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486968 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486968&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 23550316 433954233 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184124 C[C@@H](NC(=O)[C@@]1(C)C[C@@](C)(Cl)C1)c1ccc2ccccc2c1 InChI=1S/C19H22ClNO/c1-13(21-17(22)18(2)11-19(3,20)12-18)15-9-8-14-6-4-5-7-16(14)10-15/h4-10,13H,11-12H2,1-3H3,(H,21,22)/t13-,18-,19+/m1/s1 GFYPTGUXPNWVLH-ZNOIYHFQSA-N 50486969 CHEMBL2251871 Scytalone dehydratase Magnaporthe grisea 0.016000 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486969 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486969&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 23550313 433954234 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184125 C[C@@H](NC(=O)[C@]1(C)C[C@](O)(C1)C#C)c1ccc(Br)cc1 InChI=1S/C16H18BrNO2/c1-4-16(20)9-15(3,10-16)14(19)18-11(2)12-5-7-13(17)8-6-12/h1,5-8,11,20H,9-10H2,2-3H3,(H,18,19)/t11-,15-,16+/m1/s1 CVYOJEXRZCBFKV-LYRGGWFBSA-N 50486970 CHEMBL2251867 Scytalone dehydratase Magnaporthe grisea 28 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486970 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486970&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 76308261 433954235 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184126 C[C@@H](NC(=O)C1CCC1)c1ccc(Br)cc1 InChI=1S/C13H16BrNO/c1-9(10-5-7-12(14)8-6-10)15-13(16)11-3-2-4-11/h5-9,11H,2-4H2,1H3,(H,15,16)/t9-/m1/s1 ZKVJJEODNIPOPE-SECBINFHSA-N 50486971 CHEMBL2251856 Scytalone dehydratase Magnaporthe grisea 520 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486971 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486971&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 800130 433954236 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184127 COc1cc(Br)ccc1C(C)NC(=O)[C@@]1(C)C[C@@](C)(Cl)C1 InChI=1S/C16H21BrClNO2/c1-10(12-6-5-11(17)7-13(12)21-4)19-14(20)15(2)8-16(3,18)9-15/h5-7,10H,8-9H2,1-4H3,(H,19,20)/t10?,15-,16+ WVFRCSYGBLGTBH-QEPHCTRTSA-N 50486972 CHEMBL2251872 Scytalone dehydratase Magnaporthe grisea 0.030000 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486972 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486972&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 23446862 433954237 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184128 C[C@@H](NC(=O)[C@]1(C)C[C@@](C)(O)C1)c1ccc(Br)cc1 InChI=1S/C15H20BrNO2/c1-10(11-4-6-12(16)7-5-11)17-13(18)14(2)8-15(3,19)9-14/h4-7,10,19H,8-9H2,1-3H3,(H,17,18)/t10-,14-,15-/m1/s1 OQDPCGZROKBOIV-VCTAVGKDSA-N 50486973 CHEMBL2251866 Scytalone dehydratase Magnaporthe grisea 16 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486973 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486973&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 76308260 433954238 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184129 C[C@@H](NC(=O)[C@@]1(C)C[C@@](Cl)(CCl)C1)c1ccc(Br)cc1 InChI=1S/C15H18BrCl2NO/c1-10(11-3-5-12(16)6-4-11)19-13(20)14(2)7-15(18,8-14)9-17/h3-6,10H,7-9H2,1-2H3,(H,19,20)/t10-,14-,15-/m1/s1 GHWOIRDPMOKWCX-VCTAVGKDSA-N 50486974 CHEMBL2251862 Scytalone dehydratase Magnaporthe grisea 0.027000 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486974 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486974&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 23550322 433954239 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184130 C[C@@H](NC(=O)[C@@]1(C[C@@](C)(Cl)C1)C(F)(F)F)c1ccc(Cl)cc1Cl InChI=1S/C15H15Cl3F3NO/c1-8(10-4-3-9(16)5-11(10)17)22-12(23)14(15(19,20)21)6-13(2,18)7-14/h3-5,8H,6-7H2,1-2H3,(H,22,23)/t8-,13-,14+/m1/s1 XRTYAOFTVIHRLN-WZYXQFPFSA-N 50486975 CHEMBL2251221 Scytalone dehydratase Magnaporthe grisea 0.011000 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486975 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486975&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 23550324 433954240 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184131 CCC1(C(C)C1(Cl)Cl)C(=O)N[C@H](C)c1ccc(Cl)cc1 InChI=1S/C15H18Cl3NO/c1-4-14(10(3)15(14,17)18)13(20)19-9(2)11-5-7-12(16)8-6-11/h5-10H,4H2,1-3H3,(H,19,20)/t9-,10?,14?/m1/s1 RXDMAYSSBPYBFW-NAUIOFCNSA-N 50078312 2,2-Dichloro-1-ethyl-3-methyl-cyclopropanecarboxylic acid [(R)-1-(4-chloro-phenyl)-ethyl]-amide::CHEMBL40394 Scytalone dehydratase Magnaporthe grisea 0.041000 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50078312 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50078312&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 44288646 103970908 3434 CHEMBL40394 C10932 ZINC29342876 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184132 C[C@@H](NC(=O)[C@H]1C[C@@](C)(Cl)C1)c1ccc(Br)cc1 InChI=1S/C14H17BrClNO/c1-9(10-3-5-12(15)6-4-10)17-13(18)11-7-14(2,16)8-11/h3-6,9,11H,7-8H2,1-2H3,(H,17,18)/t9-,11-,14+/m1/s1 JBCJNLFVDSGTAE-UDZFHETQSA-N 50486976 CHEMBL2251857 Scytalone dehydratase Magnaporthe grisea 44 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486976 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486976&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 76329966 433954241 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445 51184133 C[C@@H](NC(=O)C1(Cl)CC(Cl)(Cl)C1)c1ccc(Br)cc1 InChI=1S/C13H13BrCl3NO/c1-8(9-2-4-10(14)5-3-9)18-11(19)12(15)6-13(16,17)7-12/h2-5,8H,6-7H2,1H3,(H,18,19)/t8-/m1/s1 WZKWCDRSJRDLPR-MRVPVSSYSA-N 50486977 CHEMBL2251858 Scytalone dehydratase Magnaporthe grisea 0.450000 ChEMBL 10.1016/s0968-0896(00)00034-1 10.7270/Q2SX6H4B 10882002 Jennings, LD; Rayner, DR; Jordan, DB; Okonya, JF; Basarab, GS; Amorose, DK; Anaclerio, BM; Lee, JK; Schwartz, RS; Whitmore, KA Stine Haskell Research Center http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50486977 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50000391&target=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50486977&enzyme=Scytalone+dehydratase&column=ki&startPg=0&Increment=50&submit=Search 54457761 433954242 1 MGSQVQKSDEITFSDYLGLMTCVYEWADSYDSKDWDRLRKVIAPTLRIDYRSFLDKLWEAMPAEEFVGMVSSKQVLGDPTLRTQHFIGGTRWEKVSEDEVIGYHQLRVPHQRYKDTTMKEVTMKGHAHSANLHWYKKIDGVWKFAGLKPDIRWGEFDFDRIFEDGRETFGDK 1IDP,1STD,2STD,3STD,4STD,5STD,6STD,7STD Scytalone dehydratase SCYD_MAGO7 P56221 A4QTI6 G4N445