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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02122931

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5MB5-METHYLBENZIMIDAZOLEA1JHM0.71
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.86
8IPN~3~-(3-PYRIDIN-3-YLBENZYL)PYRIDINE-
2,3-DIAMINE
A2OHR0.8
AS34-METHYL-6-PROPYLPYRIDIN-2-AMINEA,B3E6N0.71
RW14-phenylpyrimidineA,B,C3B9S0.74
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine
A,B,C,D3C4E0.75
TMI1-[PHENYL-(4-PHENYLPHENYL)-METHYL]IMIDAZOLEA2BDM0.78
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2Z2G0.71
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2Z2H0.71
GIQ3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-
2-AMINE
A2HKC0.71
P5C2-{[(1R,2S)-2-aminocyclohexyl]amino}-
4-[(3-methylphenyl)amino]pyrimidine-
5-carboxamide
A3FQE0.73
I172-[TRANS-(4-AMINOCYCLOHEXYL)AMINO]-
6-(BENZYL-AMINO)-9-CYCLOPENTYLPURINE
A1G5S0.71
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.71
2AP2-AMINOPYRIDINEA1AEO0.73
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7S0.73
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B3E7M0.73
AT2ETHYL 4-[(4-METHYLPYRIDIN-2-YL)AMINO]PIPERIDINE-
1-CARBOXYLATE
A,B,C,D3E7G0.73
IMB[(ISOQUINOLIN-1-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1R0.75
SB64-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-
5-(4-PYRIDYL)-IMIDAZOLE
A1BL60.73
KSFN-(2-chlorophenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZM10.71
TPB4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-
PYRIMIDIN-2-YLAMINO]-BENZONITRILE
A1S6Q0.74
SCW3-bromo-6-phenyl-N-(pyrimidin-5-
ylmethyl)imidazo[1,2-a]pyridin-
8-amine
A2R3L0.73
LIH6-([5-QUINOLYLAMINO]METHYL)-2,4-
DIAMINO-5-METHYLPYRIDO[2,3-D]PYRIMIDINE
A1KMS0.71
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.71
C92N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-
4-methyl-benzene-1,3-dicarboxamide
A,B3CPB0.7
LZ44-[(6-chloropyrazin-2-yl)amino]benzenesulfonamideA2VTJ0.74
HM25-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-
2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE
A2G6P0.75
G444-({[4-(3-METHYLBENZOYL)PYRIDIN-
2-YL]AMINO}METHYL)BENZENECARBOXIMIDAMIDE
C,D2PKS0.73
OWLN-1H-imidazol-2-yl-N'-[4-(1H-imidazol-
2-ylamino)phenyl]benzene-1,4-diamine
A,G3FSI0.73
DA1PYRIDINE-2,5-DIAMINEA2AQD0.75
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE
A1BL70.73
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE
A3ERK0.73
ABI5-AMIDINO-BENZIMIDAZOLEA1C2K0.71
L234-[1-(2,6-dichlorobenzyl)-2-methyl-
1H-imidazol-4-yl]pyrimidin-2-amine
A,C2W710.72
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.79
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.79
EMUN-BENZYL-9H-PURIN-6-AMINEA1W1S0.73
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
C4CN-(4-chlorobenzyl)-N',N'-dimethyl-
N-pyridin-2-ylethane-1,2-diamine
A2RA70.78
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A,B2ZD10.74
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A2ZE20.74
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A,B3BGR0.74
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine
A2R3H0.76
SCF5-(2-fluorophenyl)-N-(pyridin-4-
ylmethyl)pyrazolo[1,5-a]pyrimidin-
7-amine
A2R3I0.7
11XN-(pyridin-3-ylmethyl)anilineA3EJ00.73
PMD[N-(2,4-DIAMINOPTERIDIN-6-YL)-METHYL]-
DIBENZ[B,F]AZEPINE
A1KLK0.71
STS2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-
1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM
A1Y8J0.72
UI28-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-
2-CARBOXIMIDAMIDE
A1SQO0.71
6IP6-[2-(1H-INDOL-6-YL)ETHYL]PYRIDIN-
2-AMINE
A2OHP0.72
NTNISONICOTINAMIDINEA7ADH0.7
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A,B2QXM0.76
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A1HZ00.76
1BN1-BENZYL-1H-IMIDAZOLEA,B2AFX0.84
0844-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-
4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-
1H-IMIDAZOL-2-YL]-PIPERIDINE
A1OUK0.72
2461-benzyl-3-(2-chloropyridin-4-yl)ureaA2QPM0.71
985(2E)-3-{3-[6-(4-methyl-1,4-diazepan-
1-yl)pyrazin-2-yl]phenyl}prop-2-
enoic acid
A3F2A0.71
AP62,4-DIAMINO-6-PHENYL-5,6,7,8,-TETRAHYDROPTERIDINEA,B1DMK0.73
PB21-(biphenyl-4-ylmethyl)-1H-imidazoleA,B,C,D3G930.81
PB21-(biphenyl-4-ylmethyl)-1H-imidazoleA,B,C,D3G5N0.81
IP6N~3~-[3-(1H-INDOL-6-YL)BENZYL]PYRIDINE-
2,3-DIAMINE
A2OHT0.71
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.77
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.77
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.77
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.77
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.77
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.77
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.77
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.77
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.77
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.77
GVIN-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVY0.71
SB54-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-
5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE
A1BMK0.72
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.74
SC96-(2-fluorophenyl)-N-(pyridin-3-
ylmethyl)imidazo[1,2-a]pyrazin-
8-amine
A2R3G0.76
8552-(6-methylpyridin-2-yl)-N-pyridin-
4-ylquinazolin-4-amine
A3HMM0.74
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.79
KSLN-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZYB0.74
1SQISOQUINOLIN-1-AMINEA2OHK0.78