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 50452078 Cc1cccc(Oc2ccc(cc2)-c2nc(N)nc(N)n2)c1C InChI=1S/C17H17N5O/c1-10-4-3-5-14(11(10)2)23-13-8-6-12(7-9-13)15-20-16(18)22-17(19)21-15/h3-9H,1-2H3,(H4,18,19,20,21,22) ZMAGMUUUUPJPKP-UHFFFAOYSA-N 50138163 CHEMBL3752202 Dihydrofolate reductase Mycobacterium tuberculosis 25875 ChEMBL 10.1021/acsmedchemlett.5b00367 10.7270/Q25H7J3Z 26617968 Lele, AC; Raju, A; Khambete, MP; Ray, MK; Rajan, MG; Arkile, MA; Jadhav, NJ; Sarkar, D; Degani, MS Institute of Chemical Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50138163 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50138163&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 127036397 104028260 CHEMBL3752202 ZINC13588646 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 50452079 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 FBOZXECLQNJBKD-ZDUSSCGKSA-N 18050 2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)formamido]pentanedioic acid::CHEMBL34259::MTX::Methotrexate::cid_126941 Dihydrofolate reductase Mycobacterium tuberculosis 8.3 ChEMBL 10.1021/acsmedchemlett.5b00367 10.7270/Q25H7J3Z 26617968 Lele, AC; Raju, A; Khambete, MP; Ray, MK; Rajan, MG; Arkile, MA; Jadhav, NJ; Sarkar, D; Degani, MS Institute of Chemical Technology http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=18050 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=18050&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search MTX 1TDR,1DF7,6WEP,5X66,4L8W,4L8F,1RX3,1E7W,3TQ9,1DHJ,1DHI,6PFI,1U70,2C7V,1DRB,7RGA,1RG7,3DFR,4QI9,4L6H,3HJ3,6SMR,6SMN,3QXT,3QXV,5HI6,4KN0,2QK8,1DRA,1DRE,7DP5,7DP4,3DRC,7F3Y,1RA3,6DEB,6OJS,4GH8,1AXW,1DLS,1RB3,2OIP,6UY3,1D1G,1DDS,1DDR,1RH3,4DFR,4Q0D,7CCA,3IX9,1AO8,5J7W,3CL9,7TX6,4P66,4P68,4KY8,2DRC,3DAT,3DAU,6PF7,6PFE,1MXF,6PF8,6PF9,6PFD,6PFF,6PFG,6PFA,6PFB,6PFC,6PFH,3IA4,1P33,1U72,3EIG,7RG7,6P9Z,3CD2 126941 46518166 44185 CHEMBL34259 DB00563 4674 C01937 ZINC01529323 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 50622363 NNC(=O)c1ccncc1 InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10) QRXWMOHMRWLFEY-UHFFFAOYSA-N 50336507 4-pyridinecarbohydrazide(Isoniazid)::CHEMBL64::Dow-isoniazid::Hyzyd::INH::ISONICOTINIC ACID HYDRAZIDE(ISONIAZIDE)::Isoniazid (INH)::Isonicotinic acid hydrazide (Isoniazid)::Isonicotinic acid hydrazide(Isoniazid)::Isonicotinylhydrazine::Laniazid::Nydrazid::Rimifon::Stanozide::isoniazid::isonicotinamide::isonicotinhydrazide::isonicotinohydrazide::isonicotinyl hydrazide::pyridine-4-carbohydrazide Dihydrofolate reductase Mycobacterium tuberculosis 1 ChEMBL 10.1128/AAC.00453-10 10.7270/Q2F47PFS 20566771 Wang, F; Jain, P; Gulten, G; Liu, Z; Feng, Y; Ganesula, K; Motiwala, AS; Ioerger, TR; Alland, D; Vilcheze, C; Jacobs, WR; Sacchettini, JC Texas A&M University http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50336507 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50336507&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search NIZ 3WXO,5KT8,5SYJ,5SYI,5SXQ,5SXS,5SXT,5KSN,5KSG,6CDQ,4PAE,6CFQ 3767 125086609 6030 CHEMBL64 DB00951 C07054 ZINC00001590 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51023745 Cl.NC1=NC2(CCCCC2)N(C(N)=N1)c1ccc(OCc2cn(CCCOc3ccc4ccc(=O)oc4c3)nn2)cc1 InChI=1S/C29H32N8O4/c30-27-32-28(31)37(29(33-27)13-2-1-3-14-29)22-7-10-23(11-8-22)40-19-21-18-36(35-34-21)15-4-16-39-24-9-5-20-6-12-26(38)41-25(20)17-24/h5-12,17-18H,1-4,13-16,19H2,(H4,30,31,32,33) NXZUMNOHBRHSNU-UHFFFAOYSA-N 50290149 CHEMBL4174883 Dihydrofolate reductase Mycobacterium tuberculosis 1340 ChEMBL 10.1016/j.ejmech.2017.12.017 10.7270/Q2VT1VNW 29274493 Yang, X; Wedajo, W; Yamada, Y; Dahlroth, SL; Neo, JJ; Dick, T; Chui, WK National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50290149 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50290149&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 45260781 92732519 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51023751 Cl.NC1=NC2(CCCCC2)N(C(N)=N1)c1ccc(OCc2cn(CCCCOc3ccc4ccc(=O)oc4c3)nn2)cc1 InChI=1S/C30H34N8O4/c31-28-33-29(32)38(30(34-28)14-2-1-3-15-30)23-8-11-24(12-9-23)41-20-22-19-37(36-35-22)16-4-5-17-40-25-10-6-21-7-13-27(39)42-26(21)18-25/h6-13,18-19H,1-5,14-17,20H2,(H4,31,32,33,34) KOHXLFDFVHOPPG-UHFFFAOYSA-N 50290150 CHEMBL4160822 Dihydrofolate reductase Mycobacterium tuberculosis 820 ChEMBL 10.1016/j.ejmech.2017.12.017 10.7270/Q2VT1VNW 29274493 Yang, X; Wedajo, W; Yamada, Y; Dahlroth, SL; Neo, JJ; Dick, T; Chui, WK National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50290150 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50290150&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 45264597 92738199 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51023844 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 FBOZXECLQNJBKD-ZDUSSCGKSA-N 66082 (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid;hydrate::(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;hydrate::(2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid;hydrate::(2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid;hydrate::L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]- [CAS]::MLS001401431::SMR000449324::US11530198, Example Methotrexate::cid_165528 Dihydrofolate reductase Mycobacterium tuberculosis 35 ChEMBL 10.1016/j.ejmech.2017.12.017 10.7270/Q2VT1VNW 29274493 Yang, X; Wedajo, W; Yamada, Y; Dahlroth, SL; Neo, JJ; Dick, T; Chui, WK National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=66082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=66082&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search MTX 1TDR,1DF7,6WEP,5X66,4L8W,4L8F,1RX3,1E7W,3TQ9,1DHJ,1DHI,6PFI,1U70,2C7V,1DRB,7RGA,1RG7,3DFR,4QI9,4L6H,3HJ3,6SMR,6SMN,3QXT,3QXV,5HI6,4KN0,2QK8,1DRA,1DRE,7DP5,7DP4,3DRC,7F3Y,1RA3,6DEB,6OJS,4GH8,1AXW,1DLS,1RB3,2OIP,6UY3,1D1G,1DDS,1DDR,1RH3,4DFR,4Q0D,7CCA,3IX9,1AO8,5J7W,3CL9,7TX6,4P66,4P68,4KY8,2DRC,3DAT,3DAU,6PF7,6PFE,1MXF,6PF8,6PF9,6PFD,6PFF,6PFG,6PFA,6PFB,6PFC,6PFH,3IA4,1P33,1U72,3EIG,7RG7,6P9Z,3CD2 126941 252644411 DB00563 C01937 ZINC01529323 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51023847 COc1ccc(cc1)-c1nc2c(N)nc(N)nc2nc1C(C)C InChI=1S/C16H18N6O/c1-8(2)11-12(9-4-6-10(23-3)7-5-9)19-13-14(17)21-16(18)22-15(13)20-11/h4-8H,1-3H3,(H4,17,18,20,21,22) JSBOSQNHHOBMRZ-UHFFFAOYSA-N 50290151 CHEMBL531405::TCMDC-132109 Dihydrofolate reductase Mycobacterium tuberculosis 55 ChEMBL 10.1016/j.ejmech.2017.12.017 10.7270/Q2VT1VNW 29274493 Yang, X; Wedajo, W; Yamada, Y; Dahlroth, SL; Neo, JJ; Dick, T; Chui, WK National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50290151 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50290151&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 45260799 92732542 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51023849 Nc1nc(N)c2c3ccn(Cc4ccc(cc4)C#N)c3ccc2n1 InChI=1S/C18H14N6/c19-9-11-1-3-12(4-2-11)10-24-8-7-13-15(24)6-5-14-16(13)17(20)23-18(21)22-14/h1-8H,10H2,(H4,20,21,22,23) IZYHVTAYLHFZSP-UHFFFAOYSA-N 50134784 CHEMBL526243::TCMDC-137820 Dihydrofolate reductase Mycobacterium tuberculosis 10 ChEMBL 10.1016/j.ejmech.2017.12.017 10.7270/Q2VT1VNW 29274493 Yang, X; Wedajo, W; Yamada, Y; Dahlroth, SL; Neo, JJ; Dick, T; Chui, WK National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50134784 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50134784&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 3010592 104025298 CHEMBL526243 ZINC36152383 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51023851 Cc1c(Cc2ccccc2Br)cnc2nc(N)nc(N)c12 InChI=1S/C15H14BrN5/c1-8-10(6-9-4-2-3-5-11(9)16)7-19-14-12(8)13(17)20-15(18)21-14/h2-5,7H,6H2,1H3,(H4,17,18,19,20,21) JXVZMZJKAKAPFB-UHFFFAOYSA-N 50290152 CHEMBL526013 Dihydrofolate reductase Mycobacterium tuberculosis 8.2 ChEMBL 10.1016/j.ejmech.2017.12.017 10.7270/Q2VT1VNW 29274493 Yang, X; Wedajo, W; Yamada, Y; Dahlroth, SL; Neo, JJ; Dick, T; Chui, WK National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50290152 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50290152&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 45264570 92738165 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51023852 COC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)C(=O)OC InChI=1S/C22H26N8O5/c1-30(11-13-10-25-19-17(26-13)18(23)28-22(24)29-19)14-6-4-12(5-7-14)20(32)27-15(21(33)35-3)8-9-16(31)34-2/h4-7,10,15H,8-9,11H2,1-3H3,(H,27,32)(H4,23,24,25,28,29)/t15-/m0/s1 DIQFVFAFHNQUTG-HNNXBMFYSA-N 50290153 CHEMBL3245816 Dihydrofolate reductase Mycobacterium tuberculosis 50 ChEMBL 10.1016/j.ejmech.2017.12.017 10.7270/Q2VT1VNW 29274493 Yang, X; Wedajo, W; Yamada, Y; Dahlroth, SL; Neo, JJ; Dick, T; Chui, WK National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50290153 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50290153&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 45260765 92732502 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51023853 CCOC(=O)CC[C@H](NC(=O)c1ccc(cc1)N(C)Cc1cnc2nc(N)nc(N)c2n1)C(=O)OCC InChI=1S/C24H30N8O5/c1-4-36-18(33)11-10-17(23(35)37-5-2)29-22(34)14-6-8-16(9-7-14)32(3)13-15-12-27-21-19(28-15)20(25)30-24(26)31-21/h6-9,12,17H,4-5,10-11,13H2,1-3H3,(H,29,34)(H4,25,26,27,30,31)/t17-/m0/s1 MZRRIAJJDAPQRO-KRWDZBQOSA-N 50290154 CHEMBL3245817 Dihydrofolate reductase Mycobacterium tuberculosis 30 ChEMBL 10.1016/j.ejmech.2017.12.017 10.7270/Q2VT1VNW 29274493 Yang, X; Wedajo, W; Yamada, Y; Dahlroth, SL; Neo, JJ; Dick, T; Chui, WK National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50290154 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50290154&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 45260809 92732556 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51023854 Nc1nc(N)nc(n1)-c1ccc(OCc2ccc(Cl)cc2)cc1 InChI=1S/C16H14ClN5O/c17-12-5-1-10(2-6-12)9-23-13-7-3-11(4-8-13)14-20-15(18)22-16(19)21-14/h1-8H,9H2,(H4,18,19,20,21,22) BVSYOXAEHGFKTL-UHFFFAOYSA-N 50290155 CHEMBL4169358 Dihydrofolate reductase Mycobacterium tuberculosis 5175 ChEMBL 10.1016/j.ejmech.2017.12.017 10.7270/Q2VT1VNW 29274493 Yang, X; Wedajo, W; Yamada, Y; Dahlroth, SL; Neo, JJ; Dick, T; Chui, WK National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50290155 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50290155&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 45260786 92732524 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51023887 Nc1nc(N)nc(n1)-c1ccc(OCc2cccc(Cl)c2)cc1 InChI=1S/C16H14ClN5O/c17-12-3-1-2-10(8-12)9-23-13-6-4-11(5-7-13)14-20-15(18)22-16(19)21-14/h1-8H,9H2,(H4,18,19,20,21,22) COIJIKNIEJYWAK-UHFFFAOYSA-N 50290156 CHEMBL4162075 Dihydrofolate reductase Mycobacterium tuberculosis 5620 ChEMBL 10.1016/j.ejmech.2017.12.017 10.7270/Q2VT1VNW 29274493 Yang, X; Wedajo, W; Yamada, Y; Dahlroth, SL; Neo, JJ; Dick, T; Chui, WK National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50290156 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50290156&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 45260789 92732527 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51023997 Cl.NC1=NC2(CCCCC2)N(Cc2cn(CCCCCOc3ccc4oc(=O)ccc4c3)nn2)C(N)=N1 InChI=1S/C25H32N8O3/c26-23-28-24(27)33(25(29-23)11-3-1-4-12-25)17-19-16-32(31-30-19)13-5-2-6-14-35-20-8-9-21-18(15-20)7-10-22(34)36-21/h7-10,15-16H,1-6,11-14,17H2,(H4,26,27,28,29) AQEKFQDSZJVVCW-UHFFFAOYSA-N 50290157 CHEMBL4171895 Dihydrofolate reductase Mycobacterium tuberculosis >100000 ChEMBL 10.1016/j.ejmech.2017.12.017 10.7270/Q2VT1VNW 29274493 Yang, X; Wedajo, W; Yamada, Y; Dahlroth, SL; Neo, JJ; Dick, T; Chui, WK National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50290157 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50290157&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 45264606 92738209 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51023998 Cl.NC1=NC2(CCCCC2)N(C(N)=N1)c1ccc(OCc2cn(CCCc3ccccc3)nn2)cc1 InChI=1S/C26H32N8O/c27-24-29-25(28)34(26(30-24)15-5-2-6-16-26)22-11-13-23(14-12-22)35-19-21-18-33(32-31-21)17-7-10-20-8-3-1-4-9-20/h1,3-4,8-9,11-14,18H,2,5-7,10,15-17,19H2,(H4,27,28,29,30) NYUJEGRNXPLOOL-UHFFFAOYSA-N 50290173 CHEMBL4160241 Dihydrofolate reductase Mycobacterium tuberculosis 5820 ChEMBL 10.1016/j.ejmech.2017.12.017 10.7270/Q2VT1VNW 29274493 Yang, X; Wedajo, W; Yamada, Y; Dahlroth, SL; Neo, JJ; Dick, T; Chui, WK National University of Singapore http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50290173 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50290173&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 44315835 104131725 29067 ZINC26396130 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51265757 CC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCC(O)=O)cc12 InChI=1S/C22H23NO4/c1-15-22(16(2)24)19-13-18(27-12-6-9-21(25)26)10-11-20(19)23(15)14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,25,26) AJGIAOZUTGDMKP-UHFFFAOYSA-N 50516935 CHEMBL4526073 Dihydrofolate reductase Mycobacterium tuberculosis 150000 ChEMBL 10.1016/j.ejmech.2019.07.019 10.7270/Q2K93BWX 31344615 Garg, V; Maurya, RK; Thanikachalam, PV; Bansal, G; Monga, V ISF College of Pharmacy http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516935&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 155543331 440725517 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51328228 CC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCC(O)=O)cc12 InChI=1S/C22H23NO4/c1-15-22(16(2)24)19-13-18(27-12-6-9-21(25)26)10-11-20(19)23(15)14-17-7-4-3-5-8-17/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,25,26) AJGIAOZUTGDMKP-UHFFFAOYSA-N 50516935 CHEMBL4526073 Dihydrofolate reductase Mycobacterium tuberculosis 25000 ChEMBL 10.1016/j.bmc.2019.02.053 10.7270/Q2FT8QJT 30827867 Sharma, K; Tanwar, O; Deora, GS; Ali, S; Alam, MM; Zaman, MS; Krishna, VS; Sriram, D; Akhter, M Jamia Hamdard http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50516935 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50516935&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 155543331 440725517 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51328231 CC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCc3cn(nn3)-c3ccc(Br)cc3)cc12 InChI=1S/C27H23BrN4O2/c1-18-27(19(2)33)25-14-24(12-13-26(25)31(18)15-20-6-4-3-5-7-20)34-17-22-16-32(30-29-22)23-10-8-21(28)9-11-23/h3-14,16H,15,17H2,1-2H3 SJXBIRVGNOAQRT-UHFFFAOYSA-N 50537326 CHEMBL4544311 Dihydrofolate reductase Mycobacterium tuberculosis 6790 ChEMBL 10.1016/j.bmc.2019.02.053 10.7270/Q2FT8QJT 30827867 Sharma, K; Tanwar, O; Deora, GS; Ali, S; Alam, MM; Zaman, MS; Krishna, VS; Sriram, D; Akhter, M Jamia Hamdard http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50537326 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50537326&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 155553051 440828150 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51328232 CC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCc3cn(nn3)-c3cccc(Cl)c3)cc12 InChI=1S/C27H23ClN4O2/c1-18-27(19(2)33)25-14-24(11-12-26(25)31(18)15-20-7-4-3-5-8-20)34-17-22-16-32(30-29-22)23-10-6-9-21(28)13-23/h3-14,16H,15,17H2,1-2H3 DPTFKLXLSFQGRO-UHFFFAOYSA-N 50537327 CHEMBL4578986 Dihydrofolate reductase Mycobacterium tuberculosis 43100 ChEMBL 10.1016/j.bmc.2019.02.053 10.7270/Q2FT8QJT 30827867 Sharma, K; Tanwar, O; Deora, GS; Ali, S; Alam, MM; Zaman, MS; Krishna, VS; Sriram, D; Akhter, M Jamia Hamdard http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50537327 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50537327&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 155565527 440828151 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51328233 CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 FBOZXECLQNJBKD-ZDUSSCGKSA-N 66082 (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]glutaric acid;hydrate::(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;hydrate::(2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]phenyl]carbonylamino]pentanedioic acid;hydrate::(2S)-2-[[[4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid;hydrate::L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]- [CAS]::MLS001401431::SMR000449324::US11530198, Example Methotrexate::cid_165528 Dihydrofolate reductase Mycobacterium tuberculosis 8.8 ChEMBL 10.1016/j.bmc.2019.02.053 10.7270/Q2FT8QJT 30827867 Sharma, K; Tanwar, O; Deora, GS; Ali, S; Alam, MM; Zaman, MS; Krishna, VS; Sriram, D; Akhter, M Jamia Hamdard http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=66082 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=66082&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search MTX 1TDR,1DF7,6WEP,5X66,4L8W,4L8F,1RX3,1E7W,3TQ9,1DHJ,1DHI,6PFI,1U70,2C7V,1DRB,7RGA,1RG7,3DFR,4QI9,4L6H,3HJ3,6SMR,6SMN,3QXT,3QXV,5HI6,4KN0,2QK8,1DRA,1DRE,7DP5,7DP4,3DRC,7F3Y,1RA3,6DEB,6OJS,4GH8,1AXW,1DLS,1RB3,2OIP,6UY3,1D1G,1DDS,1DDR,1RH3,4DFR,4Q0D,7CCA,3IX9,1AO8,5J7W,3CL9,7TX6,4P66,4P68,4KY8,2DRC,3DAT,3DAU,6PF7,6PFE,1MXF,6PF8,6PF9,6PFD,6PFF,6PFG,6PFA,6PFB,6PFC,6PFH,3IA4,1P33,1U72,3EIG,7RG7,6P9Z,3CD2 126941 252644411 DB00563 C01937 ZINC01529323 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51344521 COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) IEDVJHCEMCRBQM-UHFFFAOYSA-N 18069 5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine::CHEMBL22::TMP::Trimethoprim::Trimethoprim (TMP)::US10870625, Compound TMP Dihydrofolate reductase Mycobacterium tuberculosis 88000 ChEMBL 10.1016/j.bmc.2020.115600 10.7270/Q28S4TH6 32631571 Kronenberger, T; Ferreira, GM; de Souza, ADF; da Silva Santos, S; Poso, A; Ribeiro, JA; Tavares, MT; Pavan, FR; Trossini, GHG; Dias, MVB; Parise-Filho, R University Hospital T£bingen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=18069 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=18069&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search TOP 3JW5,3JW3,6RUM,6RUL,3TQ8,3FRB,3FRE,1DG5,7R6G,4XT7,2BFM,6XG5,2W3V,2W3A,4KM2,7NAE,2W9H,2W9G,2W9S,6XG4,3FL9,1DYR,3N0H,7MYM,7MYL,4G8Z,3S3V,7F3Z 5578 46518184 45924 CHEMBL22 DB00440 C01965 ZINC06627681 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51344522 COC(=O)c1cccc(COc2ccccc2)c1 InChI=1S/C15H14O3/c1-17-15(16)13-7-5-6-12(10-13)11-18-14-8-3-2-4-9-14/h2-10H,11H2,1H3 NLAVGFSXWNJDCE-UHFFFAOYSA-N 50544181 CHEMBL4649468 Dihydrofolate reductase Mycobacterium tuberculosis >500000 ChEMBL 10.1016/j.bmc.2020.115600 10.7270/Q28S4TH6 32631571 Kronenberger, T; Ferreira, GM; de Souza, ADF; da Silva Santos, S; Poso, A; Ribeiro, JA; Tavares, MT; Pavan, FR; Trossini, GHG; Dias, MVB; Parise-Filho, R University Hospital T£bingen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50544181 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50544181&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 60053760 442145744 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51344523 COC(=O)c1cccc(COc2ccc(OC)cc2)c1 InChI=1S/C16H16O4/c1-18-14-6-8-15(9-7-14)20-11-12-4-3-5-13(10-12)16(17)19-2/h3-10H,11H2,1-2H3 JUQULOZZOBVZNK-UHFFFAOYSA-N 50544182 CHEMBL4649874 Dihydrofolate reductase Mycobacterium tuberculosis 242000 ChEMBL 10.1016/j.bmc.2020.115600 10.7270/Q28S4TH6 32631571 Kronenberger, T; Ferreira, GM; de Souza, ADF; da Silva Santos, S; Poso, A; Ribeiro, JA; Tavares, MT; Pavan, FR; Trossini, GHG; Dias, MVB; Parise-Filho, R University Hospital T£bingen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50544182 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50544182&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 156022013 442145745 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51344524 COC(=O)c1cccc(COc2ccc(cc2)[N+]([O-])=O)c1 InChI=1S/C15H13NO5/c1-20-15(17)12-4-2-3-11(9-12)10-21-14-7-5-13(6-8-14)16(18)19/h2-9H,10H2,1H3 RYJMFXKDQFMVIB-UHFFFAOYSA-N 50544183 CHEMBL4647549 Dihydrofolate reductase Mycobacterium tuberculosis 35000 ChEMBL 10.1016/j.bmc.2020.115600 10.7270/Q28S4TH6 32631571 Kronenberger, T; Ferreira, GM; de Souza, ADF; da Silva Santos, S; Poso, A; Ribeiro, JA; Tavares, MT; Pavan, FR; Trossini, GHG; Dias, MVB; Parise-Filho, R University Hospital T£bingen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50544183 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50544183&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 7817063 442145746 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51344525 COC(=O)c1cccc(CSc2ccccc2)c1 InChI=1S/C15H14O2S/c1-17-15(16)13-7-5-6-12(10-13)11-18-14-8-3-2-4-9-14/h2-10H,11H2,1H3 URECULOMFFFPEL-UHFFFAOYSA-N 50544184 CHEMBL4638799 Dihydrofolate reductase Mycobacterium tuberculosis 76000 ChEMBL 10.1016/j.bmc.2020.115600 10.7270/Q28S4TH6 32631571 Kronenberger, T; Ferreira, GM; de Souza, ADF; da Silva Santos, S; Poso, A; Ribeiro, JA; Tavares, MT; Pavan, FR; Trossini, GHG; Dias, MVB; Parise-Filho, R University Hospital T£bingen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50544184 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50544184&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 15664721 442145747 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51344526 COC(=O)c1cccc(OCc2ccccc2)c1 InChI=1S/C15H14O3/c1-17-15(16)13-8-5-9-14(10-13)18-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3 VQEGUSMZKSIFJC-UHFFFAOYSA-N 50544185 CHEMBL4638943 Dihydrofolate reductase Mycobacterium tuberculosis >500000 ChEMBL 10.1016/j.bmc.2020.115600 10.7270/Q28S4TH6 32631571 Kronenberger, T; Ferreira, GM; de Souza, ADF; da Silva Santos, S; Poso, A; Ribeiro, JA; Tavares, MT; Pavan, FR; Trossini, GHG; Dias, MVB; Parise-Filho, R University Hospital T£bingen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50544185 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50544185&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 13368031 442145748 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51344527 COC(=O)c1ccc(COc2ccccc2)cc1 InChI=1S/C15H14O3/c1-17-15(16)13-9-7-12(8-10-13)11-18-14-5-3-2-4-6-14/h2-10H,11H2,1H3 XROIZJPDWNZPCB-UHFFFAOYSA-N 50544186 CHEMBL4638822 Dihydrofolate reductase Mycobacterium tuberculosis 152000 ChEMBL 10.1016/j.bmc.2020.115600 10.7270/Q28S4TH6 32631571 Kronenberger, T; Ferreira, GM; de Souza, ADF; da Silva Santos, S; Poso, A; Ribeiro, JA; Tavares, MT; Pavan, FR; Trossini, GHG; Dias, MVB; Parise-Filho, R University Hospital T£bingen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50544186 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50544186&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 925826 442145749 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51344528 COC(=O)c1ccc(COc2ccc(OC)cc2)cc1 InChI=1S/C16H16O4/c1-18-14-7-9-15(10-8-14)20-11-12-3-5-13(6-4-12)16(17)19-2/h3-10H,11H2,1-2H3 AJIIUBLJJQSFMS-UHFFFAOYSA-N 50544187 CHEMBL4633659 Dihydrofolate reductase Mycobacterium tuberculosis 26000 ChEMBL 10.1016/j.bmc.2020.115600 10.7270/Q28S4TH6 32631571 Kronenberger, T; Ferreira, GM; de Souza, ADF; da Silva Santos, S; Poso, A; Ribeiro, JA; Tavares, MT; Pavan, FR; Trossini, GHG; Dias, MVB; Parise-Filho, R University Hospital T£bingen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50544187 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50544187&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 747249 442145750 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51344529 COc1ccc(OCc2cccc(c2)C(O)=O)cc1 InChI=1S/C15H14O4/c1-18-13-5-7-14(8-6-13)19-10-11-3-2-4-12(9-11)15(16)17/h2-9H,10H2,1H3,(H,16,17) XHJJPQRLFFDDTQ-UHFFFAOYSA-N 38964 3-[(4-methoxyphenoxy)methyl]benzoic acid::MLS000085462::SMR000020397::cid_3238641 Dihydrofolate reductase Mycobacterium tuberculosis 119000 ChEMBL 10.1016/j.bmc.2020.115600 10.7270/Q28S4TH6 32631571 Kronenberger, T; Ferreira, GM; de Souza, ADF; da Silva Santos, S; Poso, A; Ribeiro, JA; Tavares, MT; Pavan, FR; Trossini, GHG; Dias, MVB; Parise-Filho, R University Hospital T£bingen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=38964 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=38964&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 3238641 252619864 ZINC02521416 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51344530 OC(=O)c1cccc(COc2ccc(O)cc2)c1 InChI=1S/C14H12O4/c15-12-4-6-13(7-5-12)18-9-10-2-1-3-11(8-10)14(16)17/h1-8,15H,9H2,(H,16,17) OVNMOQZSBUEBSL-UHFFFAOYSA-N 50544188 CHEMBL4643280 Dihydrofolate reductase Mycobacterium tuberculosis 36000 ChEMBL 10.1016/j.bmc.2020.115600 10.7270/Q28S4TH6 32631571 Kronenberger, T; Ferreira, GM; de Souza, ADF; da Silva Santos, S; Poso, A; Ribeiro, JA; Tavares, MT; Pavan, FR; Trossini, GHG; Dias, MVB; Parise-Filho, R University Hospital T£bingen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50544188 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50544188&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 117221906 442145751 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51344531 OC(=O)c1cccc(COc2ccc(cc2)[N+]([O-])=O)c1 InChI=1S/C14H11NO5/c16-14(17)11-3-1-2-10(8-11)9-20-13-6-4-12(5-7-13)15(18)19/h1-8H,9H2,(H,16,17) DWVGGEQDFZYPQD-UHFFFAOYSA-N 50544189 CHEMBL4638488 Dihydrofolate reductase Mycobacterium tuberculosis 23000 ChEMBL 10.1016/j.bmc.2020.115600 10.7270/Q28S4TH6 32631571 Kronenberger, T; Ferreira, GM; de Souza, ADF; da Silva Santos, S; Poso, A; Ribeiro, JA; Tavares, MT; Pavan, FR; Trossini, GHG; Dias, MVB; Parise-Filho, R University Hospital T£bingen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50544189 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50544189&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 7015977 442145752 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51344532 OC(=O)c1cccc(CNc2ccccc2)c1 InChI=1S/C14H13NO2/c16-14(17)12-6-4-5-11(9-12)10-15-13-7-2-1-3-8-13/h1-9,15H,10H2,(H,16,17) OYVGWXUICDQOKV-UHFFFAOYSA-N 50544190 CHEMBL4642912 Dihydrofolate reductase Mycobacterium tuberculosis 7000 ChEMBL 10.1016/j.bmc.2020.115600 10.7270/Q28S4TH6 32631571 Kronenberger, T; Ferreira, GM; de Souza, ADF; da Silva Santos, S; Poso, A; Ribeiro, JA; Tavares, MT; Pavan, FR; Trossini, GHG; Dias, MVB; Parise-Filho, R University Hospital T£bingen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50544190 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50544190&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 66979075 442145753 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51344533 OC(=O)c1cccc(CSc2ccccc2)c1 InChI=1S/C14H12O2S/c15-14(16)12-6-4-5-11(9-12)10-17-13-7-2-1-3-8-13/h1-9H,10H2,(H,15,16) BGPMVRFZIKPKCF-UHFFFAOYSA-N 50544191 CHEMBL4635914 Dihydrofolate reductase Mycobacterium tuberculosis 128000 ChEMBL 10.1016/j.bmc.2020.115600 10.7270/Q28S4TH6 32631571 Kronenberger, T; Ferreira, GM; de Souza, ADF; da Silva Santos, S; Poso, A; Ribeiro, JA; Tavares, MT; Pavan, FR; Trossini, GHG; Dias, MVB; Parise-Filho, R University Hospital T£bingen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50544191 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50544191&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 15685680 442145754 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51344534 OC(=O)c1cccc(OCc2ccccc2)c1 InChI=1S/C14H12O3/c15-14(16)12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,15,16) CISXCTKEQYOZAM-UHFFFAOYSA-N 50544192 CHEMBL4644947 Dihydrofolate reductase Mycobacterium tuberculosis 230000 ChEMBL 10.1016/j.bmc.2020.115600 10.7270/Q28S4TH6 32631571 Kronenberger, T; Ferreira, GM; de Souza, ADF; da Silva Santos, S; Poso, A; Ribeiro, JA; Tavares, MT; Pavan, FR; Trossini, GHG; Dias, MVB; Parise-Filho, R University Hospital T£bingen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50544192 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50544192&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 309226 442145755 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51344535 OC(=O)c1ccc(COc2ccccc2)cc1 InChI=1S/C14H12O3/c15-14(16)12-8-6-11(7-9-12)10-17-13-4-2-1-3-5-13/h1-9H,10H2,(H,15,16) GRBUVHSYBRTCIB-UHFFFAOYSA-N 50508821 CHEMBL4443020 Dihydrofolate reductase Mycobacterium tuberculosis 442000 ChEMBL 10.1016/j.bmc.2020.115600 10.7270/Q28S4TH6 32631571 Kronenberger, T; Ferreira, GM; de Souza, ADF; da Silva Santos, S; Poso, A; Ribeiro, JA; Tavares, MT; Pavan, FR; Trossini, GHG; Dias, MVB; Parise-Filho, R University Hospital T£bingen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50508821 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50508821&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 737267 440717406 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51344536 COc1ccc(OCc2ccc(cc2)C(O)=O)cc1 InChI=1S/C15H14O4/c1-18-13-6-8-14(9-7-13)19-10-11-2-4-12(5-3-11)15(16)17/h2-9H,10H2,1H3,(H,16,17) MTYNMUPSWAZQDC-UHFFFAOYSA-N 50544193 CHEMBL1540399 Dihydrofolate reductase Mycobacterium tuberculosis 31000 ChEMBL 10.1016/j.bmc.2020.115600 10.7270/Q28S4TH6 32631571 Kronenberger, T; Ferreira, GM; de Souza, ADF; da Silva Santos, S; Poso, A; Ribeiro, JA; Tavares, MT; Pavan, FR; Trossini, GHG; Dias, MVB; Parise-Filho, R University Hospital T£bingen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50544193 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50544193&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 649175 442145756 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51344537 C(Oc1ccccc1)c1cccc(c1)-c1nnn[nH]1 InChI=1S/C14H12N4O/c1-2-7-13(8-3-1)19-10-11-5-4-6-12(9-11)14-15-17-18-16-14/h1-9H,10H2,(H,15,16,17,18) WHCDRVWBULIVFF-UHFFFAOYSA-N 50544194 CHEMBL4634216 Dihydrofolate reductase Mycobacterium tuberculosis 454000 ChEMBL 10.1016/j.bmc.2020.115600 10.7270/Q28S4TH6 32631571 Kronenberger, T; Ferreira, GM; de Souza, ADF; da Silva Santos, S; Poso, A; Ribeiro, JA; Tavares, MT; Pavan, FR; Trossini, GHG; Dias, MVB; Parise-Filho, R University Hospital T£bingen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50544194 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50544194&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 59122745 442145757 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51344538 COC(=O)c1cccc(c1)-n1cc(COc2ccccc2)nn1 InChI=1S/C17H15N3O3/c1-22-17(21)13-6-5-7-15(10-13)20-11-14(18-19-20)12-23-16-8-3-2-4-9-16/h2-11H,12H2,1H3 JIKZXQNNTHXCBQ-UHFFFAOYSA-N 50544195 CHEMBL4639355 Dihydrofolate reductase Mycobacterium tuberculosis 81000 ChEMBL 10.1016/j.bmc.2020.115600 10.7270/Q28S4TH6 32631571 Kronenberger, T; Ferreira, GM; de Souza, ADF; da Silva Santos, S; Poso, A; Ribeiro, JA; Tavares, MT; Pavan, FR; Trossini, GHG; Dias, MVB; Parise-Filho, R University Hospital T£bingen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50544195 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50544195&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 156013153 442145758 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51344539 OC(=O)c1cccc(c1)-n1cc(COc2ccccc2)nn1 InChI=1S/C16H13N3O3/c20-16(21)12-5-4-6-14(9-12)19-10-13(17-18-19)11-22-15-7-2-1-3-8-15/h1-10H,11H2,(H,20,21) WDEYBCCPWFVXHT-UHFFFAOYSA-N 50544196 CHEMBL4637819 Dihydrofolate reductase Mycobacterium tuberculosis >500000 ChEMBL 10.1016/j.bmc.2020.115600 10.7270/Q28S4TH6 32631571 Kronenberger, T; Ferreira, GM; de Souza, ADF; da Silva Santos, S; Poso, A; Ribeiro, JA; Tavares, MT; Pavan, FR; Trossini, GHG; Dias, MVB; Parise-Filho, R University Hospital T£bingen http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50544196 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50544196&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 156012219 442145759 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51512031 Nc1nc(N)c2cc(ccc2n1)C(F)(F)F InChI=1S/C9H7F3N4/c10-9(11,12)4-1-2-6-5(3-4)7(13)16-8(14)15-6/h1-3H,(H4,13,14,15,16) MWOLOLRELISBGS-UHFFFAOYSA-N 50608609 CHEMBL586115::TCMDC-124259 Dihydrofolate reductase Mycobacterium tuberculosis 22 ChEMBL 10.7270/Q22B937G 32298876 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50608609 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50608609&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 456224 494498357 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51512032 Nc1nc(N)c2c3ccn(Cc4ccc5ccccc5c4)c3ccc2n1 InChI=1S/C21H17N5/c22-20-19-16-9-10-26(18(16)8-7-17(19)24-21(23)25-20)12-13-5-6-14-3-1-2-4-15(14)11-13/h1-11H,12H2,(H4,22,23,24,25) ZQPHIGGVONVAFD-UHFFFAOYSA-N 50608610 CHEMBL5279457 Dihydrofolate reductase Mycobacterium tuberculosis 0.960000 ChEMBL 10.7270/Q22B937G 32298876 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50608610 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50608610&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 10065802 494498358 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51512033 CCc1nc(N)nc(N)c1C#C[C@H](C)c1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O InChI=1S/C24H24N4O3/c1-4-21-20(22(25)28-24(26)27-21)10-5-14(2)17-11-18(13-19(12-17)31-3)15-6-8-16(9-7-15)23(29)30/h6-9,11-14H,4H2,1-3H3,(H,29,30)(H4,25,26,27,28)/t14-/m0/s1 OKJCHFXBCVXSIZ-AWEZNQCLSA-N 210930 UCP1173 Dihydrofolate reductase Mycobacterium tuberculosis 177 ChEMBL 10.7270/Q22B937G 32298876 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210930 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210930&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search G6Y 6DDP,6DE4 124081251 329586893 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51512034 CCc1nc(N)nc(N)c1C#CCc1cc(OC)cc(c1)-c1ccc(cc1)C(O)=O InChI=1S/C23H22N4O3/c1-3-20-19(21(24)27-23(25)26-20)6-4-5-14-11-17(13-18(12-14)30-2)15-7-9-16(10-8-15)22(28)29/h7-13H,3,5H2,1-2H3,(H,28,29)(H4,24,25,26,27) VLQRVOAJCWFFQG-UHFFFAOYSA-N 210931 UCP1175 Dihydrofolate reductase Mycobacterium tuberculosis 460 ChEMBL 10.7270/Q22B937G 32298876 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=210931 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=210931&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search U75 6DDS,5HF2 123133740 329586894 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51512035 Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1cc(O)c(O)c(O)c1 InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1 WMBWREPUVVBILR-WIYYLYMNSA-N 50070942 (-)-Epigallocatechin gallate::(-)-Epigallocatechin-3-o-gallate::(-)-epigallocatechin 3-gallate::(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate::CHEMBL297453::EGCG::Epigallocatechin 3-gallate::Epigallocatechin monogallate, B::cid_65064 Dihydrofolate reductase Mycobacterium tuberculosis 10910 ChEMBL 10.7270/Q22B937G 32298876 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50070942 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50070942&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search EGG 65064 103964753 4806 CHEMBL297453 7002 C09731 ZINC03870412 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51512036 CCCCc1nc(Cl)c([nH]1)C1NC(=O)NC(C)=C1C(=O)Nc1ccc(F)cc1 InChI=1S/C19H21ClFN5O2/c1-3-4-5-13-24-16(17(20)25-13)15-14(10(2)22-19(28)26-15)18(27)23-12-8-6-11(21)7-9-12/h6-9,15H,3-5H2,1-2H3,(H,23,27)(H,24,25)(H2,22,26,28) AKDPOXIXICZXPL-UHFFFAOYSA-N 50608611 CHEMBL4436643 Dihydrofolate reductase Mycobacterium tuberculosis >24640 ChEMBL 10.7270/Q22B937G 32298876 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50608611 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50608611&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 145999854 494498359 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51512037 O=c1[nH]c2ncn(Cc3ccccc3)c2c(=O)[nH]1 InChI=1S/C12H10N4O2/c17-11-9-10(14-12(18)15-11)13-7-16(9)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,14,15,17,18) XDUTVTQACWYOMX-UHFFFAOYSA-N 50119764 CHEMBL3616528 Dihydrofolate reductase Mycobacterium tuberculosis 38600 ChEMBL 10.7270/Q22B937G 32298876 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50119764 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50119764&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 12500507 319565913 CHEMBL3616528 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51512038 COc1ccc(cc1)-c1nc(O)c2ccccc2n1 InChI=1S/C15H12N2O2/c1-19-11-8-6-10(7-9-11)14-16-13-5-3-2-4-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18) HETSSARHFAGODR-UHFFFAOYSA-N 50019166 CHEMBL336718 Dihydrofolate reductase Mycobacterium tuberculosis 49100 ChEMBL 10.7270/Q22B937G 32298876 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50019166 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50019166&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 388017 103930156 CHEMBL336718 ZINC26296706 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546 51512039 CC(O)=O.Nc1nc(N)c2c3ccn(Cc4cccc(c4)[N+]([O-])=O)c3ccc2n1 InChI=1S/C17H14N6O2.C2H4O2/c18-16-15-12-6-7-22(9-10-2-1-3-11(8-10)23(24)25)14(12)5-4-13(15)20-17(19)21-16;1-2(3)4/h1-8H,9H2,(H4,18,19,20,21);1H3,(H,3,4) UFFKDOLCUFDMQB-UHFFFAOYSA-N 50608612 CHEMBL1904209 Dihydrofolate reductase Mycobacterium tuberculosis 6.0 ChEMBL 10.7270/Q22B937G 32298876 n/a n/a http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50608612 http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=pol&polymerid=50004695&target=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search http://www.bindingdb.org/jsp/dbsearch/PrimarySearch_ki.jsp?energyterm=kJ/mole&tag=r21&monomerid=50608612&enzyme=Dihydrofolate+reductase&column=ki&startPg=0&Increment=50&submit=Search 334410 494498360 1 MTMVGLIWAQATSGVIGRGGDIPWRLPEDQAHFREITMGHTIVMGRRTWDSLPAKVRPLPGRRNVVLSRQADFMASGAEVVGSLEEALTSPETWVIGGGQVYALALPYATRCEVTEVDIGLPREAGDALAPVLDETWRGETGEWRFSRSGLRYRLYSYHRS 1DF7,1DG5,1DG7,1DG8,4KL9,4KLX,4KM0,4KM2,4KNE,4M2X,5JA3,5SCM,5SCN,5SCO,5SCP,5SCQ,5SCR,5SCS,5SCT,5SCU,5SCV,5SCW,5SCX,5SCY,5SCZ,5SD0,5SD1,5SD2,5SD3,5SD4,5SD5,5U26,5U27,5UJF,6DDP,6DDS,6DDW,6NNC,6NND,6NNE,6NNH,6NNI,6VS5,6VS6,6VS8,6VS9,6VSD,6VSE,6VSF,6VSG,6VV6,6VV7,6VV8,6VV9,6VVB Dihydrofolate reductase DYR_MYCTU P9WNX1 L0TDH5 O33305 P0A546