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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01259121

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AG0(6R)-6-cyclopentyl-6-[2-(2,6-diethylpyridin-
4-yl)ethyl]-3-[(5,7-dimethyl[1,2,4]triazolo[1,5-
a]pyrimidin-2-yl)methyl]-4-hydroxy-
5,6-dihydro-2H-pyran-2-one
A3FRZ0.73
20A1-ethyl-N-(phenylmethyl)-4-(tetrahydro-
2H-pyran-4-ylamino)-1H-pyrazolo[3,4-
b]pyridine-5-carboxamide
A3D3P0.72
3FR3'-chloro-5'-(3-methyl-6-{[(1S)-
1-phenylethyl]amino}-1H-pyrazolo[4,3-
c]pyridin-1-yl)biphenyl-2-carboxamide
A3DBD0.72
L00(2R)-2-(5-{3-chloro-6-((2-methoxyethyl){[(1S,2S)-
2-methylcyclopropyl]methyl}amino)-
2-[methyl(methylsulfonyl)amino]pyridin-
4-yl}-1,3,4-oxadiazol-2-yl)-1-phenylpropan-
2-amine
A2NTR0.74
AB33-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL)PHENOL
A3BHJ0.7
AB33-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL)PHENOL
A3BHM0.7
AB33-(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-
D]PYRIMIDIN-3-YL)PHENOL
A1WMA0.7
5FR4-({1-[3-(3-amino-3-oxopropyl)-
5-chlorophenyl]-3-methyl-1H-pyrazolo[4,3-
c]pyridin-6-yl}amino)-3-methoxy-
N-(1-methylpiperidin-4-yl)benzamide
A3DBF0.72
A453-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-
D]PYRIMIDIN-2-YL)-BENZOIC ACID
A1RRI0.71
4FR3'-chloro-5'-[6-({2-methoxy-4-[(1-
methylpiperidin-4-yl)carbamoyl]phenyl}amino)-
3-methyl-1H-pyrazolo[4,3-c]pyridin-
1-yl]biphenyl-2-carboxamide
A3DBE0.71
N4DN,4-dimethyl-3-[(1-phenyl-1H-pyrazolo[3,4-
d]pyrimidin-4-yl)amino]benzamide
A3CG20.71
73Q6-CHLORO-9-HYDROXY-1,3-DIMETHYL-
1,9-DIHYDRO-4H-PYRAZOLO[3,4-B]QUINOLIN-
4-ONE
A,B2G010.72
ABJ3-[4-AMINO-1-(1-METHYLETHYL)-1H-
PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL
A3EN70.71
ABJ3-[4-AMINO-1-(1-METHYLETHYL)-1H-
PYRAZOLO[3,4-D]PYRIMIDIN-3-YL]PHENOL
A2V4L0.71
KS41-cyclobutyl-3-(3,4-dimethoxyphenyl)-
1H-pyrazolo[3,4-d]pyrimidin-4-amine
A,B3EN50.71
PVBPURVALANOLA1CKP0.73
PVBPURVALANOLA,B1V0P0.73
2C52-CHLORO-5-(3-CHLORO-PHENYL)-6-
[(4-CYANO-PHENYL)-(3-METHYL-3H-
IMIDAZOL-4-YL)- METHOXYMETHYL]-
NICOTINONITRILE
B1NI10.7
7CS(3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-
3-YL 1H-PYRROLO[2,3-B]PYRIDINE-
3-CARBOXYLATE
A2QHM0.72
PP21-TERT-BUTYL-3-(4-CHLORO-PHENYL)-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
A,B3GEQ0.71
PP21-TERT-BUTYL-3-(4-CHLORO-PHENYL)-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
A2ZV90.71
PP21-TERT-BUTYL-3-(4-CHLORO-PHENYL)-
1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YLAMINE
A1QPE0.71
TABACETIC ACID N-[2-CHLORO-5-[6-ETHYL-
2,4-DIAMINO-PYRIMID-5-YL]-PHENYL]-
[BENZYL-TRIAZEN-3-YL]ETHYL ESTER
A1VJ30.72
4RB4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-
b]pyridazin-3-yl)benzoic acid
A3BQR0.74