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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03412611

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.73
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.73
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.73
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.73
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCL0.71
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCJ0.71
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.7
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid
A3FR20.71
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H
1DDO0.7
NIONICOTINIC ACIDA1JHQ0.74
NIONICOTINIC ACIDA1L5L0.74
NIONICOTINIC ACIDA2F7F0.74
NIONICOTINIC ACIDA1L5K0.74
NIONICOTINIC ACIDA1JHY0.74
NIONICOTINIC ACIDA,B1FSL0.74
NIONICOTINIC ACIDA1L5M0.74
NIONICOTINIC ACIDA1LH60.74
NIONICOTINIC ACIDA1JHO0.74
NIONICOTINIC ACIDA3CI80.74
NIONICOTINIC ACIDA,B,C,D1ICU0.74
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H
3HRD0.74
NIONICOTINIC ACIDA1JHA0.74
NIONICOTINIC ACIDA1JHV0.74
NIONICOTINIC ACIDA1L4N0.74
NIONICOTINIC ACIDA2LH60.74
NIONICOTINIC ACIDA1D0V0.74
NIONICOTINIC ACIDA,B,C,D1ICV0.74
NIONICOTINIC ACIDA,B1ICR0.74
NIONICOTINIC ACIDA1JHR0.74
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.74
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.77
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1I430.73
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.73
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.73
BRFA1UUO0.74
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.72
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID
A,C1RHM0.72
QNDQUINALDIC ACIDA,B1IDA0.79
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.74
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.74
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.74
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.74
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.71
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCK0.72
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCM0.72
NTMQUINOLINIC ACIDA3C2O0.76
NTMQUINOLINIC ACIDA,B1QAP0.76
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.76
NTMQUINOLINIC ACIDA,B,C2B7N0.76
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.71
4IN4-AMINO-L-TRYPTOPHANA1OXF0.71
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid
A3FR50.72
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.71
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide
A,B,C,D3D3E0.71
MPE(1H-INDOL-3-YL)-(2-MERCAPTO-ETHOXYIMINO)-
ACETIC ACID
A1M4A0.71
238A2PRH0.7
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.73
SN61-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUMA,B144D0.71
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID
A1Z8N0.73
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.74
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.74
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID
A1B9I0.71
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID
A,B,C,D1H9U0.8
BMSA,B1DKF0.81
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.73
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A,B2QYN0.86
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A,B2QYK0.86
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A2QYL0.86
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.71
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID
A2Z3U0.73
4PPC,L1XKA0.74
4PPA,B,C,D1XKB0.74
PT1PTEROIC ACIDA,B1TX00.71
PT1PTEROIC ACIDA1BR60.71
PT1PTEROIC ACIDA,B1HWP0.71
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.7
9HP9-(4-HYDROXYPHENYL)-2,7-PHENANTHROLINEA1PMU0.71
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.7
IOPINDOLYLPROPIONIC ACIDA2OLI0.7
IOPINDOLYLPROPIONIC ACIDA,B2AY50.7