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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00270082

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3511-(3-{5-[4-(aminomethyl)phenyl]-
1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-
3-(2-phenoxyphenyl)urea
A,B3ETA0.7
2A62-ANILINO-6-CYCLOHEXYLMETHOXYPURINEA,C1H1Q0.73
5OB5-METHOXYBENZIMIDAZOLEA1JHP0.74
2071-AMINO-6-CYCLOHEX-3-ENYLMETHYLOXYPURINEA1H0W0.74
6552-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE
B1O3P0.75
6552-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE
A1O2I0.75
4IG(2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-2-(3,5-DIFLUOROPHENYL)-4-
(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-
3(4H)-ONE
A,B2G1S0.71
228N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-
1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-
4-YL]-D-PROLINAMIDE
A2ORO0.72
3IGN-{2-[6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-2,2-DIMETHYL-3-OXO-2,3-DIHYDRO-
4H-1,4-BENZOXAZIN-4-YL]ETHYL}ACETAMIDE
A,B2G1R0.75
1336-FLUORO-2-(2-HYDROXY-3-ISOBUTOXY-
PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
B1GJ80.72
3122-(5-{5-[AMINO(IMINIO)METHYL]-1H-
BENZIMIDAZOL-2-YL}-2'-METHOXY-6-
OXIDO-1,1'-BIPHENYL-3-YL)SUCCINATE
A1O2Z0.71
3334-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-
(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE
A2ORR0.72
1232-(2-HYDROXY-5-METHOXY-PHENYL)-
1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
B1GI90.74
1232-(2-HYDROXY-5-METHOXY-PHENYL)-
1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
A1GI50.74
5IG6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-
5-YL)-4-(3-METHOXYPROPYL)-2,2-DIMETHYL-
2H-1,4-BENZOXAZIN-3(4H)-ONE
A,B2G1Y0.74
3914-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-
(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE
A2ORS0.74
215(1Z)-5-(2-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-PYRIDIN-4-YL-1H-IMIDAZOL-4-YL)INDAN-
1-ONE OXIME
A,B2FB80.74
3FP(2R)-1-(DIMETHYLAMINO)-3-{4-[(6-
{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-
4-YL)AMINO]PHENOXY}PROPAN-2-OL
A1V1K0.7
3HT5-[1-(4-methoxyphenyl)-1H-benzimidazol-
6-yl]-1,3,4-oxadiazole-2(3H)-thione
A,B3F880.72
1PMmethyl (3S)-3-{2-[(1,3-benzodioxol-
5-ylmethyl)amino]-2-oxoethyl}-4-
[2-(1H-imidazol-1-yl)pyrimidin-
4-yl]piperazine-1-carboxylate
A1DD70.7
1BM3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-
{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-
4-YL]AMINO}-4-METHYLPHENOL
A2HK50.72
6562-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-ISOBUTOXYBENZENOLATE
A1O2K0.76
6562-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-
2-YL}-6-ISOBUTOXYBENZENOLATE
A1O2J0.76