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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02274068

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCL0.71
INO2-HYDROXYISONICOTINIC ACID N-OXIDEM,N,O,P,Q,R3PCJ0.71
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2G190.73
4HGN-[(4-HYDROXY-8-IODOISOQUINOLIN-
3-YL)CARBONYL]GLYCINE
A2G1M0.73
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID
A,B,C,D1H9U0.78
BP53-(2,2'-BIPYRIDIN-5-YL)-L-ALANINEA2PXH0.71
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid
A3FR50.73
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
BMSA,B1DKF0.74
PMC3-(PHOSPHONOMETHYL)PYRIDINE-2-CARBOXYLIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1I430.73
NA44-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-
PYRIDIN-3-YL]-BENZOIC ACID
A,C1RHM0.73
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A,B2QYN0.88
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A,B2QYK0.88
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid
A2QYL0.88
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.7
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.7
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.7
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.7
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLN0.72
6PCPYRIDINE-2-CARBOXYLIC ACIDA2OLO0.72
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.76
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
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B,C2W2I0.75
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA2GKL0.75
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2VD70.75
PD2PYRIDINE-2,4-DICARBOXYLIC ACIDA,B2JIG0.75
D3EN-cyclopropyl-N-(trans-4-pyridin-
3-ylcyclohexyl)-4-[(1S)-2,2,2-trifluoro-
1-hydroxy-1-methylethyl]benzamide
A,B,C,D3D3E0.71
CNQ3-(4-CHLOROPHENYL)QUINOXALINE-5-
CARBOXAMIDE
A,B,C,D1WOK0.71
NTMQUINOLINIC ACIDA3C2O0.75
NTMQUINOLINIC ACIDA,B1QAP0.75
NTMQUINOLINIC ACIDA,B,C,D,E,F1QPQ0.75
NTMQUINOLINIC ACIDA,B,C2B7N0.75
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.71
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID
A2BRL0.71
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID
A1Z8N0.75
PXG3-[O-PHOSPHONOPYRIDOXYL]--AMINO-
BENZOIC ACID
A1B9I0.71
BRFA1UUO0.76
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid
A3FR20.73
HQU3-HYDROXYQUINALDIC ACIDC,D193D0.71
QNDQUINALDIC ACIDA,B1IDA0.77
238A2PRH0.73
F8A9-[2-(trifluoromethyl)benzyl]-2,3,4,9-
tetrahydro-1H-carbazole-8-carboxylic acid
A3FR40.71
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID
A2BRK0.7
QUI2-CARBOXYQUINOXALINEA1PFE0.73
QUI2-CARBOXYQUINOXALINEA,B2DA80.73
QUI2-CARBOXYQUINOXALINEA,C,E,G2ADW0.73
QUI2-CARBOXYQUINOXALINEA1VS20.73
QUI2-CARBOXYQUINOXALINEA1XVN0.73
QUI2-CARBOXYQUINOXALINEA,B185D0.73
QUI2-CARBOXYQUINOXALINEA1XVK0.73
QUI2-CARBOXYQUINOXALINEA,C1XVR0.73
QUI2-CARBOXYQUINOXALINEA,B3GO30.73
HQA3-(8-hydroxyquinolin-3-yl)-L-alanineA,B3FCA0.72
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.79
PYA3-(1,10-PHENANTHROL-2-YL)-L-ALANINEA1HCW0.77