TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T21661 Methionine synthase B21CIN (2S)-2-[[4-[(2,4-Diaminopyrido[3,2-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid Investigative 71460350 C20H21N7O5 439.4 C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=NC3=C(C=C2)N=C(N=C3N)N IC50 ~ 100000 nM Poor binder T21661 Methionine synthase B6E5UC (2S)-2-[[4-[Acetyl-[(2,4-diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid Investigative 71451328 C22H27N7O6 485.5 CC(=O)N(CC1CCC2=C(N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O IC50 ~ 100000 nM Poor binder T21661 Methionine synthase B82VTD (2S)-2-[[4-(11,13-Diamino-2,4,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-4-yl)benzoyl]amino]pentanedioic acid Investigative 71453144 C21H25N7O5 455.5 C1CC2=C(C(=NC(=N2)N)N)N3C1CN(C3)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)O IC50 = 66380 nM Poor binder T21661 Methionine synthase BH40FO (2S)-2-[[4-[(2,4-Diamino-5-prop-2-enyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid Investigative 71449539 C24H31N7O5 497.5 CN(CC1CCC2=C(N1CC=C)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O IC50 ~ 100000 nM Poor binder T21661 Methionine synthase BMW0A6 (2S)-2-[[4-[(2,4-Diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid Investigative 71462049 C21H27N7O5 457.5 CN(CC1CCC2=C(N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O IC50 ~ 100000 nM Poor binder T21661 Methionine synthase BR3KW5 (2S)-2-[[4-[[2,4-Diamino-5-(4-methylphenyl)sulfonyl-7,8-dihydro-6H-pyrido[3,2-d]pyrimidin-6-yl]methyl-methylamino]benzoyl]amino]pentanedioic acid Investigative 71454881 C28H33N7O7S 611.7 CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC3=C2C(=NC(=N3)N)N)CN(C)C4=CC=C(C=C4)C(=O)N[C@@H](CCC(=O)O)C(=O)O IC50 = 55000 nM Poor binder T21661 Methionine synthase BXC58O (2S)-2-[[4-[(2,4-Diamino-5,6,7,8-tetrahydropyrido[3,2-d]pyrimidin-6-yl)methylamino]benzoyl]amino]pentanedioic acid Investigative 25270307 C20H25N7O5 443.5 C1CC2=C(C(=NC(=N2)N)N)NC1CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O IC50 = 87910 nM Poor binder