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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01989486

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.71
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCL0.71
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCJ0.71
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID
A1B9I0.72
4AP4-AMINOPYRIDINEA1AEG0.71
CIIN-[(1S)-2-methyl-1-(pyridin-4-ylcarbamoyl)propyl]cyclohexanecarboxamideA2W0A0.71
NIONICOTINIC ACIDA1JHQ0.73
NIONICOTINIC ACIDA1L5L0.73
NIONICOTINIC ACIDA2F7F0.73
NIONICOTINIC ACIDA1L5K0.73
NIONICOTINIC ACIDA1JHY0.73
NIONICOTINIC ACIDA,B1FSL0.73
NIONICOTINIC ACIDA1L5M0.73
NIONICOTINIC ACIDA1LH60.73
NIONICOTINIC ACIDA1JHO0.73
NIONICOTINIC ACIDA3CI80.73
NIONICOTINIC ACIDA,B,C,D1ICU0.73
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H
3HRD0.73
NIONICOTINIC ACIDA1JHA0.73
NIONICOTINIC ACIDA1JHV0.73
NIONICOTINIC ACIDA1L4N0.73
NIONICOTINIC ACIDA2LH60.73
NIONICOTINIC ACIDA1D0V0.73
NIONICOTINIC ACIDA,B,C,D1ICV0.73
NIONICOTINIC ACIDA,B1ICR0.73
NIONICOTINIC ACIDA1JHR0.73
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDA,D,E,G,I,J1S320.82
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDD,I,J1M180.82
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M1A0.82
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M190.82
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PC20.79
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B,C,D1ARZ0.79
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PE70.79
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PES0.79
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1C3V0.79
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1P9L0.79
7933-{[(1R)-1-phenylethyl]amino}-4-
(pyridin-4-ylamino)cyclobut-3-ene-
1,2-dione
A3FPM0.7
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.84
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.84
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.84
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.84
NTMQUINOLINIC ACIDA3C2O0.79
NTMQUINOLINIC ACIDA,B1QAP0.79
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.79
NTMQUINOLINIC ACIDA,B,C2B7N0.79
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.7
QUI2-CARBOXYQUINOXALINEA1PFE0.72
QUI2-CARBOXYQUINOXALINEA,B2DA80.72
QUI2-CARBOXYQUINOXALINEA,C,E,G2ADW0.72
QUI2-CARBOXYQUINOXALINEA1VS20.72
QUI2-CARBOXYQUINOXALINEA1XVN0.72
QUI2-CARBOXYQUINOXALINEA,B185D0.72
QUI2-CARBOXYQUINOXALINEA1XVK0.72
QUI2-CARBOXYQUINOXALINEA,C1XVR0.72
QUI2-CARBOXYQUINOXALINEA,B3GO30.72
M2C(2S)-2-AMINO-4-(METHYLSULFANYL)-
1-PYRIDIN-2-YLBUTANE-1,1-DIOL
A1QXY0.74
QNDQUINALDIC ACIDA,B1IDA0.72
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1I430.79
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.71
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.72
PYCPYRROLE-2-CARBOXYLATEA1W620.83
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.83
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.83
PYCPYRROLE-2-CARBOXYLATEA,B1W610.83
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.83
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.88
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.88