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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02493221

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1N8N-{2-[(N,N-DIETHYLGLYCYL)AMINO]-
5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-
3-[2-(METHYLAMINO)QUINAZOLIN-6-
YL]BENZAMIDE		A,B2OG80.71
PD8PHOSPHORYLATED DIHYDROPTEROATEA1W780.7
DVPMETHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-
6-YL)METHYL]AMINO}BENZOYL)PIPERIDINE-
4-CARBOXYLATE		A,B,C,D,E,F,
G,H		3H4V0.75
BTH4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-
PENTANOIC ACID		A1RWO0.73
GK6N-{4'-[(cyclopropylmethyl)carbamoyl]-
6-methylbiphenyl-3-yl}-2-morpholin-
4-ylpyridine-4-carboxamide		A3D830.71
FE1METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-
6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-
4-CARBOXYLATE		A,B,C,D2QHX0.73
FOLFOLIC ACIDA1PJ60.8
FOLFOLIC ACIDA,B1RD70.8
FOLFOLIC ACIDA,B1DHF0.8
FOLFOLIC ACIDA,B,C,D,E1QZF0.8
FOLFOLIC ACIDA4CD20.8
FOLFOLIC ACIDA1RX70.8
FOLFOLIC ACIDA1RX20.8
FOLFOLIC ACIDA1RX80.8
FOLFOLIC ACIDA1RA20.8
FOLFOLIC ACIDA,B1RE70.8
FOLFOLIC ACIDA7DFR0.8
FOLFOLIC ACIDA1VIF0.8
FOLFOLIC ACIDA,B1RB20.8
FOLFOLIC ACIDA1CD20.8
FOLFOLIC ACIDA2CD20.8
FOLFOLIC ACIDA,B1DYI0.8
FOLFOLIC ACIDA1DRF0.8
FOLFOLIC ACIDA,B,C,D3BMC0.8
FOLFOLIC ACIDA,B2D0K0.8
FOLFOLIC ACIDA1RA80.8
4QB3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-HEXANOYLAMINO}-4-
OXO-BUTYRIC ACID		A1RWN0.81
C243-({2-[(4-CARBAMIMIDOYL-PHENYLAMINO)-
METHYL]-3-METHYL-3H-BENZOIMIDAZOLE-
5-CARBONYL}-PYRIDIN-2-YL-AMINO)-
PROPIONIC ACID ETHYL ESTER		B,C1KTS0.77
NHR2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-
6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-
PENTANEDIOIC ACID		A,B1C3E0.73
4HI(3R,5R)-7-[4-(benzylcarbamoyl)-
2-(4-fluorophenyl)-5-(1-methylethyl)-
1H-imidazol-1-yl]-3,5-dihydroxyheptanoic acid		B,C,D3CCW0.7
MTXMETHOTREXATEA,B1DRB0.79
MTXMETHOTREXATEA,B,C,D2C7V0.79
MTXMETHOTREXATEA1U700.79
MTXMETHOTREXATEA,B,C,D1MXF0.79
MTXMETHOTREXATEA2QK80.79
MTXMETHOTREXATEA,B1RB30.79
MTXMETHOTREXATEA,B1DHJ0.79
MTXMETHOTREXATEA3DAU0.79
MTXMETHOTREXATEA1U720.79
MTXMETHOTREXATEA,B2DRC0.79
MTXMETHOTREXATEA,B1D1G0.79
MTXMETHOTREXATEA,B1DDR0.79
MTXMETHOTREXATEA,B1E7W0.79
MTXMETHOTREXATEA1RX30.79
MTXMETHOTREXATEA3DFR0.79
MTXMETHOTREXATEA,B,C,D1P330.79
MTXMETHOTREXATEA3DAT0.79
MTXMETHOTREXATEA,B1DHI0.79
MTXMETHOTREXATEA,B1TDR0.79
MTXMETHOTREXATEA,B1DRA0.79
MTXMETHOTREXATEA3EIG0.79
MTXMETHOTREXATEA3CD20.79
MTXMETHOTREXATEA1AO80.79
MTXMETHOTREXATEA1DF70.79
MTXMETHOTREXATEA1DLS0.79
MTXMETHOTREXATEA1RG70.79
MTXMETHOTREXATEA1RH30.79
MTXMETHOTREXATEA,B4DFR0.79
MTXMETHOTREXATEA1RA30.79
MTXMETHOTREXATEA,B1DDS0.79
MTXMETHOTREXATEA1DRE0.79
MTXMETHOTREXATEA,B1AXW0.79
MTXMETHOTREXATEA3CL90.79
MTXMETHOTREXATEA,B3DRC0.79
MTXMETHOTREXATEA,B,C,D,E2OIP0.79
L344-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-
TETRAHYDRO-2,5,6,8,9B-PENTAAZA-
CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-
GLUTAMIC ACID		A,B1DIB0.75
P40N-cyclopropyl-4-methyl-3-{2-[(2-
morpholin-4-ylethyl)amino]quinazolin-
6-yl}benzamide		A3DT10.71
LUMLUMICHROMEA2CC60.7
LUMLUMICHROMEA,B1S4M0.7
LUMLUMICHROMEA2CC70.7
LUMLUMICHROMEA1HE50.7
3BI(2S)-2-{[(R)-[(3R)-3-carboxy-3-
{[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}phenyl)carbonyl]amino}propyl](hydroxy)phosphoryl]methyl}pentanedioic acid		A3BI10.74
MOTN-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-
5-YL)METHYL]METHYLAMINO]-BENZOYL]-
L-GLUTAMATE		A1HFR0.73
MOTN-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-
5-YL)METHYL]METHYLAMINO]-BENZOYL]-
L-GLUTAMATE		A1DAJ0.73
MOTN-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-
5-YL)METHYL]METHYLAMINO]-BENZOYL]-
L-GLUTAMATE		A1HFQ0.73
MOTN-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-
5-YL)METHYL]METHYLAMINO]-BENZOYL]-
L-GLUTAMATE		A1HFP0.73
PB4N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE-
4,6-DICARBOXAMIDE		A,B1XUD0.71
T42MORPHOLINO-DIPHENYLALANINE-METHOXYPROPYLBORONIC ACIDH,I1AI80.7
CKR6-amino-2-[(2-morpholin-4-ylethyl)amino]-
3,7-dihydro-8H-imidazo[4,5-g]quinazolin-
8-one		A3C2N0.72
DRC9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-
4-ACRIDINECARBOXAMIDE		A1KCI0.72
DZF5-DEAZAFOLIC ACIDA,B2DHF0.77
DZF5-DEAZAFOLIC ACIDA,B1DYH0.77
DZF5-DEAZAFOLIC ACIDA,B,C,D1CDE0.77
MS1A,B1OZ00.73
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHJ0.73
COPN-(4-CARBOXY-4-{4-[(2,4-DIAMINO-
PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-
BUTYL)-PHTHALAMIC ACID		A1OHK0.73
MT1N-(4-{[(2,4-DIAMINOPTERIDIN-1-IUM-
6-YL)METHYL](METHYL)AMINO}BENZOYL)-
L-GLUTAMIC ACID		A,B2INQ0.77
THHN-[4-({[(6S)-2-AMINO-4-HYDROXY-
5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-
6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID		A,B3DCJ0.77
THHN-[4-({[(6S)-2-AMINO-4-HYDROXY-
5-METHYL-5,6,7,8-TETRAHYDROPTERIDIN-
6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID		A,B1WSV0.77
Q2Y4-OXO-3-[2-(5-{[4-(QUINOXALIN-2-
YLAMINO)-BENZOYLAMINO]-METHYL}-
THIOPHEN-2-YL)-ACETYLAMINO]-PENTANOIC ACID		A1RWM0.74
L37A,B1DIG0.76
OQB4-OXO-3-[(6-{[4-(QUINOXALIN-2-YLAMINO)-
BENZOYLAMINO]-METHYL}-PYRIDINE-
3-CARBONYL)-AMINO]-BUTYRIC ACID		A1RWW0.8
5HI(3R,5R)-7-[2-(4-fluorophenyl)-4-
{[(1S)-2-hydroxy-1-phenylethyl]carbamoyl}-
5-(1-methylethyl)-1H-imidazol-1-
yl]-3,5-dihydroxyheptanoic acid		A,B,C,D3CCZ0.71