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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02255938

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3MP3-METHYLPYRIDINEA1EUB0.73
3MP3-METHYLPYRIDINEA1BM60.73
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.75
JI3N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-
2-YL)METHYL]PYRROLIDIN-3-YL}-N'-
(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE
A,B3B3O0.72
JI3N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-
2-YL)METHYL]PYRROLIDIN-3-YL}-N'-
(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE
A,B3DQS0.72
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.71
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.76
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.84
M054-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-aminium
A2VO70.73
M054-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-aminium
A2VO60.73
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.82
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.82
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.71
WAI4-{2-[4-(2-AMINOETHYL)PIPERAZIN-
1-YL]PYRIDIN-4-YL}-N-(3-CHLORO-
4-METHYLPHENYL)PYRIMIDIN-2-AMINE
A1Y2F0.72
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.71
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.8
DA1PYRIDINE-2,5-DIAMINEA2AQD0.74
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine
A,B3B3P0.72
JI7N-{(3R,4S)-4-[(6-amino-4-methylpyridin-
2-yl)methyl]pyrrolidin-3-yl}-N'-
(3-chlorobenzyl)ethane-1,2-diamine
A,B3DQT0.72
M031-[4-(4-chlorophenyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-yl]methanamine
A,I2VO00.72
HM25-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-
2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE
A2G6P0.74
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.7
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.76
2AP2-AMINOPYRIDINEA1AEO0.83
M041-[4-(4-chlorobenzyl)-1-(7H-pyrrolo[2,3-
d]pyrimidin-4-yl)piperidin-4-yl]methanamine
A2VO30.73
NTNISONICOTINAMIDINEA7ADH0.77
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.7
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.73
3AP3-AMINOPYRIDINEA1AEF0.71
4AP4-AMINOPYRIDINEA1AEG0.7
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,C,D,E2ZJU0.76
IM4(2E)-1-[(6-chloropyridin-3-yl)methyl]-
N-nitroimidazolidin-2-imine
A,B,C,D3C790.76
1SQISOQUINOLIN-1-AMINEA2OHK0.75
EPJEPIBATIDINEA,B,C,D,E2BYQ0.73
CPZ4-(4-CHLOROPHENYL)IMIDAZOLEA1SUO0.74
L234-[1-(2,6-dichlorobenzyl)-2-methyl-
1H-imidazol-4-yl]pyrimidin-2-amine
A,C2W710.71
2451-(2-chloropyridin-4-yl)-3-phenylureaA2QKN0.72
A11ETHYL 4-[(4-CHLOROPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E6L0.72
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.8
26DPYRIDINE-2,6-DIAMINEA2ANZ0.71
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.72
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.72