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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02482131

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1I430.84
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.71
NTMQUINOLINIC ACIDA3C2O0.82
NTMQUINOLINIC ACIDA,B1QAP0.82
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.82
NTMQUINOLINIC ACIDA,B,C2B7N0.82
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID
A,B,C,D1H9U0.72
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.85
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.85
PYCPYRROLE-2-CARBOXYLATEA1W620.72
PYCPYRROLE-2-CARBOXYLATEA,B1L9D0.72
PYCPYRROLE-2-CARBOXYLATEA,B2CWH0.72
PYCPYRROLE-2-CARBOXYLATEA,B1W610.72
PYCPYRROLE-2-CARBOXYLATEA,B1ELI0.72
PSZ4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID
A2QB30.71
PSZ4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID
A2QB20.71
PSZ4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID
A2QBT0.71
PSZ4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID
A2QA30.71
PSZ4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-
4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID
A2Q7W0.71
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
C2JQ70.73
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
B1OLN0.73
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
A1E9W0.73
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
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
QNDQUINALDIC ACIDA,B1IDA0.76
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCL0.7
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCJ0.7
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDA,D,E,G,I,J1S320.73
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDD,I,J1M180.73
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M1A0.73
PYB4-AMINO-(1-METHYLPYRROLE)-2-CARBOXYLIC ACIDE,I,J1M190.73
PYXS-[S-THIOPYRIDOXAMINYL]CYSTEINEA,B1A2D0.73
3HM5-hydroxy-6-methylpyridine-3-carboxylic acidA,B3GMC0.74
QUI2-CARBOXYQUINOXALINEA1PFE0.7
QUI2-CARBOXYQUINOXALINEA,B2DA80.7
QUI2-CARBOXYQUINOXALINEA,C,E,G2ADW0.7
QUI2-CARBOXYQUINOXALINEA1VS20.7
QUI2-CARBOXYQUINOXALINEA1XVN0.7
QUI2-CARBOXYQUINOXALINEA,B185D0.7
QUI2-CARBOXYQUINOXALINEA1XVK0.7
QUI2-CARBOXYQUINOXALINEA,C1XVR0.7
QUI2-CARBOXYQUINOXALINEA,B3GO30.7
AA5N-[(3-HYDROXY-2-METHYL-5-{[(TRIHYDROXYPHOSPHORANYL)OXY]METHYL}PYRIDIN-
4-YL)METHYLENE]METHIONINE
A1Z7Y0.72
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide
A,B,C,D3D3E0.72
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A,B2QYN0.7
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A,B2QYK0.7
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A2QYL0.7
PRR3-(METHYL-PYRIDINIUM)ALANINEH,I,J7KME0.73
M2C(2S)-2-AMINO-4-(METHYLSULFANYL)-
1-PYRIDIN-2-YLBUTANE-1,1-DIOL
A1QXY0.77
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PC20.77
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B,C,D1ARZ0.77
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PE70.77
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA2PES0.77
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1C3V0.77
PDCPYRIDINE-2,6-DICARBOXYLIC ACIDA,B1P9L0.77
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCK0.71
NNO6-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCM0.71
PAA(N-METHYLPYRIDYL)ACETIC ACIDI1HBT0.73