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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01989483

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PC20.83
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B,C,D1ARZ0.83
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PE70.83
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PES0.83
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1C3V0.83
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1P9L0.83
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.92
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.92
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.73
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.7
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.71
NTMQUINOLINIC ACIDA3C2O0.83
NTMQUINOLINIC ACIDA,B1QAP0.83
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.83
NTMQUINOLINIC ACIDA,B,C2B7N0.83
NIONICOTINIC ACIDA1JHQ0.77
NIONICOTINIC ACIDA1L5L0.77
NIONICOTINIC ACIDA2F7F0.77
NIONICOTINIC ACIDA1L5K0.77
NIONICOTINIC ACIDA1JHY0.77
NIONICOTINIC ACIDA,B1FSL0.77
NIONICOTINIC ACIDA1L5M0.77
NIONICOTINIC ACIDA1LH60.77
NIONICOTINIC ACIDA1JHO0.77
NIONICOTINIC ACIDA3CI80.77
NIONICOTINIC ACIDA,B,C,D1ICU0.77
NIONICOTINIC ACIDA,B,C,D,E,F,
G,H
3HRD0.77
NIONICOTINIC ACIDA1JHA0.77
NIONICOTINIC ACIDA1JHV0.77
NIONICOTINIC ACIDA1L4N0.77
NIONICOTINIC ACIDA2LH60.77
NIONICOTINIC ACIDA1D0V0.77
NIONICOTINIC ACIDA,B,C,D1ICV0.77
NIONICOTINIC ACIDA,B1ICR0.77
NIONICOTINIC ACIDA1JHR0.77
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID
A1B9I0.73
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID
A,C1RHM0.7
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1I430.83
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.74
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
C2JQ70.71
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
B1OLN0.71
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
A1E9W0.71
QNDQUINALDIC ACIDA,B1IDA0.75
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.72
M2C(2S)-2-AMINO-4-(METHYLSULFANYL)-
1-PYRIDIN-2-YLBUTANE-1,1-DIOL
A1QXY0.75
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.72
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDA,D,E,G,I,J1S320.84
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDD,I,J1M180.84
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M1A0.84
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M190.84
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.88
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.88
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.88
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.88
PYCPYRROLE-2-CARBOXYLATEA1W620.8
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.8
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.8
PYCPYRROLE-2-CARBOXYLATEA,B1W610.8
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.8
NFL2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACIDA1TD70.7
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCK0.71
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCM0.71
QUI2-CARBOXYQUINOXALINEA1PFE0.75
QUI2-CARBOXYQUINOXALINEA,B2DA80.75
QUI2-CARBOXYQUINOXALINEA,C,E,G2ADW0.75
QUI2-CARBOXYQUINOXALINEA1VS20.75
QUI2-CARBOXYQUINOXALINEA1XVN0.75
QUI2-CARBOXYQUINOXALINEA,B185D0.75
QUI2-CARBOXYQUINOXALINEA1XVK0.75
QUI2-CARBOXYQUINOXALINEA,C1XVR0.75
QUI2-CARBOXYQUINOXALINEA,B3GO30.75
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCL0.74
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCJ0.74