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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00686062

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
43A(3Z)-6-(4-HYDROXY-3-METHOXYPHENYL)-
3-(1H-PYRROL-2-YLMETHYLENE)-1,3-
DIHYDRO-2H-INDOL-2-ONE
A2AYP0.7
MFQ((2-BROMO-4-METHYLPHENYL){6-[(4-
{[(2S)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)ACETONITRILE
A1H070.71
PIX4-(3-{[5-(trifluoromethyl)pyridin-
2-yl]oxy}benzyl)piperidine-1-carboxylic acid
A,B2WAP0.72
25310,11-dimethoxy-4-methyldibenzo[c,f]-
2,7-naphthyridine-3,6-diamine
A2R7B0.72
228N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-
1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-
4-YL]-D-PROLINAMIDE
A2ORO0.71
3LG(5-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-
6-OXOPIPERAZIN-2-YL]METHOXY}-1H-
INDOL-1-YL)ACETIC ACID
B2G260.7
I48N-{3-METHYL-5-[2-(PYRIDIN-4-YLAMINO)-
ETHOXY]-PHENYL}-BENZENESULFONAMIDE
H1UVT0.71
342(3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-
3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE
A2ORT0.71
P13N-[2-(3-AMINOPROPOXY)-5-(1H-INDOL-
5-YL)BENZYL]-N-(2-PIPERAZIN-1-YLETHYL)AMINE
B1UTS0.74
BERBERBERINEA3D6Y0.82
BERBERBERINEA,B,D,E1JUM0.82
BERBERBERINEA,B,D,E3BTI0.82
BERBERBERINEA2QVD0.82
7PC2-[4-(AMINOMETHYL)-2-CHLOROPHENOXY]-
5-PYRIDIN-2-YLPHENOL
A,B2OP00.72
RO01-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-
4-{[4-(2-METHOXYPHENYL)PIPERIDIN-
1-YL]METHYL}ISOQUINOLINE
A2FVJ0.75
AI32,3-DIMETHOXY-12H-[1,3]DIOXOLO[5,6]INDENO[1,2-
C]ISOQUINOLIN-6-IUM
A,C,D1TL80.79
1PMmethyl (3S)-3-{2-[(1,3-benzodioxol-
5-ylmethyl)amino]-2-oxoethyl}-4-
[2-(1H-imidazol-1-yl)pyrimidin-
4-yl]piperazine-1-carboxylate
A1DD70.71
C4F3-(3-methoxybenzyl)-1H-pyrrolo[2,3-
b]pyridine
A,B3C4F0.71
4EA(1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-
2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE
E2F7X0.71
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5X0.73
HRM7-METHOXY-1-METHYL-9H-BETA-CARBOLINEA2Z5Y0.73
PU68-BENZO[1,3]DIOXOL-,5-YLMETHYL-
9-BUTYL-9H-
A1UY90.7
MFP((2-BROMO-4-METHYLPHENYL){6-[(4-
{[(2R)-3-(DIMETHYLAMINO)-2-HYDROXYPROPYL]OXY}PHENYL)AMINO]PYRIMIDIN-
4-YL}AMINO)ACETONITRILE
A1H070.71
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX40.72
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QX60.72
ML1N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamideA,B2QWX0.72