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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02583061

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
L234-[1-(2,6-dichlorobenzyl)-2-methyl-
1H-imidazol-4-yl]pyrimidin-2-amine
A,C2W710.73
EMUN-BENZYL-9H-PURIN-6-AMINEA1W1S0.72
0844-[5-[2-(1-PHENYL-ETHYLAMINO)-PYRIMIDIN-
4-YL]-1-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)-
1H-IMIDAZOL-2-YL]-PIPERIDINE
A1OUK0.76
GVJ(S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVZ0.7
DLI(3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-
4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-
3-AMINE
B2OAG0.74
PIM4-PHENYL-1H-IMIDAZOLEA,B2D0T0.83
PIM4-PHENYL-1H-IMIDAZOLEA1E9X0.83
PIM4-PHENYL-1H-IMIDAZOLEA1PHD0.83
PIM4-PHENYL-1H-IMIDAZOLEA,B,C,D2RFC0.83
PIM4-PHENYL-1H-IMIDAZOLEA1ODO0.83
PIM4-PHENYL-1H-IMIDAZOLEA3E5K0.83
PIM4-PHENYL-1H-IMIDAZOLEA1PHE0.83
PIM4-PHENYL-1H-IMIDAZOLEA,B1F4T0.83
PIM4-PHENYL-1H-IMIDAZOLEA1S1F0.83
PIM4-PHENYL-1H-IMIDAZOLEA1PHF0.83
C4EN-phenyl-1H-pyrrolo[2,3-b]pyridin-
3-amine
A,B,C,D3C4E0.74
GVH1H-PYRROLO[2,3-B]PYRIDINEA2UVX0.71
ED2N-benzyl-N-(2-{(4-cyanophenyl)[(1-
methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-
1-methyl-1H-imidazole-4-sulfonamide
B3E320.71
L0D2-(1H-pyrazol-3-yl)-1H-benzimidazoleA2W1D0.7
SC96-(2-fluorophenyl)-N-(pyridin-3-
ylmethyl)imidazo[1,2-a]pyrazin-
8-amine
A2R3G0.75
IZ1N-[(1S)-2-{4-[(5S)-1,1-dioxido-
3-oxoisothiazolidin-5-yl]phenyl}-
1-(4-phenyl-1H-imidazol-2-yl)ethyl]-
3-(trifluoromethyl)benzenesulfonamide
A2VEU0.77
AK11-{5-[2-(thieno[3,2-d]pyrimidin-
4-ylamino)ethyl]-1,3-thiazol-2-
yl}-3-[3-(trifluoromethyl)phenyl]urea
A3D140.72
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
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.71
OWLN-1H-imidazol-2-yl-N'-[4-(1H-imidazol-
2-ylamino)phenyl]benzene-1,4-diamine
A,G3FSI0.72
CK44-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-
N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-
2-AMINE
A1PXL0.76
CK44-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)-
N-[4-(TRIFLUOROMETHYL)PHENYL]PYRIMIDIN-
2-AMINE
A,C,F,H2C5V0.76
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE
A1G2M0.73
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE
B,C1G320.73
R114-{[1-METHYL-5-(2-METHYL-BENZOIMIDAZOL-
1-YLMETHYL)-1H-BENZOIMIDAZOL-2-
YLMETHYL]-AMINO}-BENZAMIDINE
A1G360.73
SCE3-methyl-N-(pyridin-4-ylmethyl)imidazo[1,2-
a]pyrazin-8-amine
A2R3H0.73
SB24-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-
PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE
A2EWA0.84
SB24-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-
PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE
A1A9U0.84
SB24-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-
PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE
A1PME0.84
CP93-[4-(2-METHYL-IMIDAZO[4,5-C]PYRIDIN-
1-YL)BENZYL]-3H-BENZOTHIAZOL-2-
ONE
A1TV60.75
BMI3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-
1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-
2-YLMETHYL)AMINO]PYRIDIN-2(1H)-
ONE
A2OJ90.71
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
H,I1C1U0.73
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1R0.73
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1P0.73
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1Q0.73
AK31-(5-{2-[(1-methyl-1H-pyrazolo[4,3-
d]pyrimidin-7-yl)amino]ethyl}-1,3-
thiazol-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
A3D2I0.72
HA3N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-
a]pyrazin-7(8H)-yl)carbonyl]thiophene-
2-carboxamide
A,B2VQV0.73
HA3N-hydroxy-5-[(3-phenyl-5,6-dihydroimidazo[1,2-
a]pyrazin-7(8H)-yl)carbonyl]thiophene-
2-carboxamide
A2VQM0.73
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A,C2C5N0.7
CK8N-[4-(2,4-DIMETHYL-THIAZOL-5-YL)-
PYRIMIDIN-2-YL]-N',N'-DIMETHYL-
BENZENE-1,4-DIAMINE
A1PXP0.7
BZIBENZIMIDAZOLEA1RYC0.71
BZIBENZIMIDAZOLEA1L5F0.71
BZIBENZIMIDAZOLEA1KXM0.71
SB54-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-
5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE
A1BMK0.76
ABI5-AMIDINO-BENZIMIDAZOLEA1C2K0.76
RW14-phenylpyrimidineA,B,C3B9S0.7
GVIN-METHYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINEA2UVY0.72
FR0N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMINO)METHYL)-
2-THIENYL)-1,3-THIAZOL-2-YL)GUANIDINE
A1NDV0.71
55FN-[4-(5-fluoro-6-methylpyridin-
2-yl)-5-quinoxalin-6-yl-1H-imidazol-
2-yl]acetamide
A,B,C,D,E3FAA0.72
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A,B2QXM0.75
PIQ2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-
B]PYRIDINE
A1HZ00.75
6544-(2-THIENYL)-1-(4-METHYLBENZYL)-
1H-IMIDAZOLE
A,B1I2Z0.83
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.71
T501-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-
4-METHYL-1H-BENZIMIDAZOLE
A2B6A0.71
G142-phenyl-1H-imidazole-4-carboxylic acidA,B3GRJ0.7
CPZ4-(4-CHLOROPHENYL)IMIDAZOLEA1SUO0.77
FRV4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-
IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-
N-METHYLBENZENESULFONAMIDE
A2W060.72
DBN6-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)-
2-{5-[4-(4,5-DIHYDRO-1H-IMIDAZOL-
2-YL)PHENYL]THIEN-2-YL}-1H-BENZIMIDAZOLE
A2B3E0.74
SCW3-bromo-6-phenyl-N-(pyrimidin-5-
ylmethyl)imidazo[1,2-a]pyridin-
8-amine
A2R3L0.71
STS2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-
1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM
A1Y8J0.78
MBB2'-(3-METHYL-4-DIMETHYLAMINOPHENYL)-
5-(4-METHYL-1-PIPERAZINYL)-2,5'-
BI-BENZIMIDAZOLE
B1QV40.71
HDT4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-
2-YL)AMINO]BENZENESULFONAMIDE
A1OIT0.72
IZ2N-[(1S)-1-(4-benzyl-1H-imidazol-
2-yl)-2-{4-[(5S)-1,1-dioxido-3-
oxoisothiazolidin-5-yl]phenyl}ethyl]-
3-(trifluoromethyl)benzenesulfonamide
A2VEV0.74
BBZ2'-(4-DIMETHYLAMINOPHENYL)-5-(4-
METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
B447D0.71
BBZ2'-(4-DIMETHYLAMINOPHENYL)-5-(4-
METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE
B1QV80.71
KSLN-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZYB0.72
D134-[5-(3-IODO-PHENYL)-2-(4-METHANESULFINYL-
PHENYL)-1H-IMIDAZOL-4-YL]-PYRIDINE
A1IAN0.82
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE
A1BL70.76
SB44-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-
5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE
A3ERK0.76
DF9(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-
d]pyrimidin-7-yl)methyl]-4-[(benzylsulfanyl)methyl]pyrrolidin-
3-ol
A,B3DF90.71
P1E4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-
5-(trifluoromethyl)pyrimidin-2-
yl]amino}-N-methylbenzenesulfonamide
A3H3C0.7
D1B2-(5-{4-[AMINO(IMINO)METHYL]PHENYL}-
2-THIENYL)-1H-BENZIMIDAZOLE-6- CARBOXIMIDAMIDE DIHYDROCHLORIDE
A1VZK0.75
KSFN-(2-chlorophenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZM10.7
BMV3-BENZYL-1-(1H-IMIDAZOL-4-YLMETHYL)-
4-(THIEN-2-YLSULFONYL)-2,3,4,5-
TETRAHYDRO-1H-1,4-BENZODIAZEPINE-
7-CARBONITRILE
B1SA50.72
DMD5,6-DIMETHYLBENZIMIDAZOLEA1D0S0.74
5MB5-METHYLBENZIMIDAZOLEA1JHM0.75
IZ5N-{(1S)-2-{4-[(5S)-1,1-dioxido-
3-oxoisothiazolidin-5-yl]phenyl}-
1-[4-(3-phenylpropyl)-1H-imidazol-
2-yl]ethyl}-3-fluorobenzenesulfonamide
A2VEY0.73
TMG2-(1,3-THIAZOL-4-YL)-1H-BENZIMIDAZOLEA1YVM0.78
I19N-(4-{[(3S)-3-(dimethylamino)pyrrolidin-
1-yl]carbonyl}phenyl)-5-fluoro-
4-[2-methyl-1-(1-methylethyl)-1H-
imidazol-5-yl]pyrimidin-2-amine
A2W170.71
SB64-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-
5-(4-PYRIDYL)-IMIDAZOLE
A1BL60.76
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9B0.73
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9C0.73
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUG0.73
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9A0.73
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1T0.73
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9D0.73
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEH,I1C1V0.73
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1S0.73
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUK0.73
MA9(3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-
4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-
3-AMINE
A2OQV0.72
HT25-AMIDINO-2-[2-(4-AMIDINOPHENYL)-
5-BENZIMIDAZOLYL]BENZIMIDAZOLE
B311D0.71
1BN1-BENZYL-1H-IMIDAZOLEA,B2AFX0.72