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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03511337

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TPB4-[4-(2,4,6-TRIMETHYL-PHENYLAMINO)-
PYRIMIDIN-2-YLAMINO]-BENZONITRILE
A1S6Q0.72
T501-(2,6-DIFLUOROBENZYL)-2-(2,6-DIFLUOROPHENYL)-
4-METHYL-1H-BENZIMIDAZOLE
A2B6A0.7
KSLN-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-
a]pyrazin-8-amine
A2ZYB0.71
SCZ3-cyclopropyl-5-phenyl-N-(pyridin-
3-ylmethyl)pyrazolo[1,5-a]pyrimidin-
7-amine
A2R3N0.71
TPM2-(4-AMINOBENZYLAMINO)-3,4,5,6-
TETRAHYDROPYRIDINIUM
J,K,L1F3D0.73
FTA3-(4-PHENYLAMINO-PHENYLAMINO)-2-
(1H-TETRAZOL-5-YL)-ACRYLONITRILE
A1PZP0.79
DZO3-(3-aminophenyl)-N-(3-chlorophenyl)pyrazolo[1,5-
a]pyrimidin-5-amine
A3E7V0.71
CL3N-METHYL-N-[3-(6-PHENYL[1,2,4]TRIAZOLO[4,3-
B]PYRIDAZIN-3-YL)PHENYL]ACETAMIDE
A1Y2G0.75
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
QPPN-(5-METHYL-1H-PYRAZOL-3-YL)-2-
PHENYLQUINAZOLIN-4-AMINE
A,C2JC60.75
501N7-BUTYL-N2-(5-CHLORO-2-METHYLPHENYL)-
5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-
2,7-DIAMINE
A,B1ZGV0.77
1AU1-[1-(3-aminophenyl)-3-tert-butyl-
1H-pyrazol-5-yl]-3-naphthalen-1-
ylurea
A3F3T0.72
5CP[4-({4-[(5-cyclopropyl-1H-pyrazol-
3-yl)amino]-6-(methylamino)pyrimidin-
2-yl}amino)phenyl]acetonitrile
A,B3BHH0.73
VX2N-cyclohexyl-3-[3-(trifluoromethyl)phenyl][1,2,4]triazolo[4,3-
b]pyridazin-6-amine
A3BGQ0.71
C35N~2~-{[1-(4-CHLOROPHENYL)-5-METHYL-
1H-1,2,4-TRIAZOL-3-YL]CARBONYL}-
N~5~-(DIAMINOMETHYLIDENE)-L-ORNITHYL-
L-LEUCYL-L-ISOLEUCYL-4-FLUORO-L-
PHENYLALANINAMIDE
B,D2V220.7
PD51-{4-[4-amino-1-(1-methylethyl)-
1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-
3-[3-(trifluoromethyl)phenyl]urea
A3EL80.7
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
H,I1C1U0.71
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1R0.71
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1P0.71
BAI(5-AMIDINO-2-BENZIMIDAZOLYL)(2-
BENZIMIDAZOLYL)METHANE
A1C1Q0.71
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.71
F291-ALLYL-5-(2-PHENYLPYRAZOLO[1,5-
A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-
C]PYRIDAZIN-3-AMINE
A1WZY0.72
1AW1-[1-(3-aminophenyl)-3-tert-butyl-
1H-pyrazol-5-yl]-3-phenylurea
A,B3F3U0.74
PD31-{3-[(4-amino-1-cyclopentyl-1H-
pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}-
3-[3-(trifluoromethyl)phenyl]urea
A3EL70.7
SCF5-(2-fluorophenyl)-N-(pyridin-4-
ylmethyl)pyrazolo[1,5-a]pyrimidin-
7-amine
A2R3I0.72
SCJ3-bromo-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-
a]pyrimidin-7-amine
A2R3J0.71
VGG1-tert-butyl-3-(3-methylbenzyl)-
1H-pyrazolo[3,4-d]pyrimidin-4-amine
A2WEI0.71
P19N,N'-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-
2,4-DIAMINE
A2PVH0.72
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9B0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9C0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUG0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9A0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1T0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1G9D0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEH,I1C1V0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1C1S0.7
BABBIS(5-AMIDINO-BENZIMIDAZOLYL)METHANEA1XUK0.7
P452-(4-CHLOROBENZYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZINE-8-CARBONITRILE
A2PVK0.71
6SC3-bromo-5-phenyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-
a]pyrimidin-7-amine
A2R3R0.71
DMZ4-METHYL-N-METHYL-N-(2-PHENYL-2H-
PYRAZOL-3-YL)BENZENESULFONAMIDE
A1N6B0.71
PP11-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-4-YLAMINE
A2IVV0.7
PP11-TER-BUTYL-3-P-TOLYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-4-YLAMINE
A1QCF0.7
P442-(CYCLOHEXYLMETHYLAMINO)-4-(PHENYLAMINO)PYRAZOLO[1,5-
A][1,3,5]TRIAZINE-8-CARBONITRILE
A2PVJ0.74
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE
A2IKO0.74
7IG5-{4-[(3,5-DIFLUOROBENZYL)AMINO]PHENYL}-
6-ETHYLPYRIMIDINE-2,4-DIAMINE
A2G240.74
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A,B2ZD10.72
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A2ZE20.72
T274-{[4-({4-[(E)-2-cyanoethenyl]-
2,6-dimethylphenyl}amino)pyrimidin-
2-yl]amino}benzonitrile
A,B3BGR0.72
CQUN-[2-(5-methyl-4H-1,2,4-triazol-
3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-
4-amine
A3CQU0.74