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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00333243

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.75
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.78
2755-amino-1,2-dimethylpyridiniumX2RBW0.7
3AP3-AMINOPYRIDINEA1AEF0.7
DA1PYRIDINE-2,5-DIAMINEA2AQD0.78
L234-[1-(2,6-dichlorobenzyl)-2-methyl-
1H-imidazol-4-yl]pyrimidin-2-amine
A,C2W710.74
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,C,D,E2ZJU0.78
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,B,C,D3C790.78
LZ44-[(6-chloropyrazin-2-yl)amino]benzenesulfonamideA2VTJ0.78
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.79
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.8
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.71
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.71
U554-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDEA1JSV0.71
WAI4-{2-[4-(2-AMINOETHYL)PIPERAZIN-
1-YL]PYRIDIN-4-YL}-N-(3-CHLORO-
4-METHYLPHENYL)PYRIMIDIN-2-AMINE
A1Y2F0.75
9DA9-DEAZAADENINEA1L1R0.7
9DA9-DEAZAADENINEA1L1Q0.7
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine
A,B,C,D3C4E0.72
L17L17A,B1Z710.71
2AP2-AMINOPYRIDINEA1AEO0.72
CK7[4-(2-AMINO-4-METHYL-THIAZOL-5-
YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-
AMINE
A1PXO0.71
CK7[4-(2-AMINO-4-METHYL-THIAZOL-5-
YL)-PYRIMIDIN-2-YL]-(3-NITRO-PHENYL)-
AMINE
A,C2C5P0.71
HM25-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-
2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE
A2G6P0.74
A11ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E6L0.74
U056,11-DIHYDRO-11-ETHYL-6-METHYL-
9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-
5-ONE
A1RTH0.71
U056,11-DIHYDRO-11-ETHYL-6-METHYL-
9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-
5-ONE
A1RT30.71
U056,11-DIHYDRO-11-ETHYL-6-METHYL-
9-NITRO-5H-PYRIDO[2,3-B][1,5]BENZODIAZEPIN-
5-ONE
A1LW20.71
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.73
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.79
JI3N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-
2-YL)METHYL]PYRROLIDIN-3-YL}-N'-
(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE
A,B3B3O0.71
JI3N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-
2-YL)METHYL]PYRROLIDIN-3-YL}-N'-
(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE
A,B3DQS0.71
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.74
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.7
1MSN-[(4-methylpyrimidin-2-yl)carbamoyl]-
2-nitrobenzenesulfonamide
A3E9Y0.72
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.71
1CI1-(4-CHLOROPHENYL)-1H-IMIDAZOLEA,B,C,D,E,F,G2Q6N0.77
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine
A,B3B3P0.71
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine
A,B3DQT0.71
CPZ4-(4-CHLOROPHENYL)IMIDAZOLEA1SUO0.73
LID8-(2-CHLOROPHENYLAMINO)-2-(2,6-
DIFLUOROPHENYLAMINO)-9-ETHYL-9H-
PURINE-1,7-DIIUM
A2GTM0.74
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A2IZT0.73
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A2CDZ0.73
23DN2-[(1R,2S)-2-AMINOCYCLOHEXYL]-
N6-(3-CHLOROPHENYL)-9-ETHYL-9H-
PURINE-2,6-DIAMINE
A,B2F570.73
KSFN-(2-chlorophenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZM10.72
1SQISOQUINOLIN-1-AMINEA2OHK0.7