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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02198105

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.78
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.74
APY2-AMINOMETHYL-PYRIDINEI1IVP0.74
DA1PYRIDINE-2,5-DIAMINEA2AQD0.77
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.85
4AP4-AMINOPYRIDINEA1AEG0.71
HM25-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-
2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE
A2G6P0.72
L234-[1-(2,6-dichlorobenzyl)-2-methyl-
1H-imidazol-4-yl]pyrimidin-2-amine
A,C2W710.74
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.9
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.75
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.76
2AP2-AMINOPYRIDINEA1AEO0.7
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,C,D,E2ZJU0.75
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,B,C,D3C790.75
1CI1-(4-CHLOROPHENYL)-1H-IMIDAZOLEA,B,C,D,E,F,G2Q6N0.76
LZ44-[(6-chloropyrazin-2-yl)amino]benzenesulfonamideA2VTJ0.75
WAI4-{2-[4-(2-AMINOETHYL)PIPERAZIN-
1-YL]PYRIDIN-4-YL}-N-(3-CHLORO-
4-METHYLPHENYL)PYRIMIDIN-2-AMINE
A1Y2F0.71
CPZ4-(4-CHLOROPHENYL)IMIDAZOLEA1SUO0.72
2755-amino-1,2-dimethylpyridiniumX2RBW0.76
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.73
KSFN-(2-chlorophenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZM10.73
EPJEPIBATIDINEA,B,C,D,E2BYQ0.74
5IQISOQUINOLIN-5-AMINEA,B2F2T0.7
3AP3-AMINOPYRIDINEA1AEF0.76
8STN-(4-chlorophenyl)-2-[(pyridin-
4-ylmethyl)amino]benzamide
A3HNG0.72
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A2IZT0.7
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A2CDZ0.7
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A,B2F570.7
A11ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E6L0.73
LID8-(2-CHLOROPHENYLAMINO)-2-(2,6-
DIFLUOROPHENYLAMINO)-9-ETHYL-9H-
PURINE-1,7-DIIUM
A2GTM0.73
CLQN4-(7-CHLORO-QUINOLIN-4-YL)-N1,N1-
DIETHYL-PENTANE-1,4-DIAMINE
A1CET0.72
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.75
2862-ethenyl-1-methylpyridiniumX2RC20.7