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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00745554

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0392-((9H-PURIN-6-YLTHIO)METHYL)-5-
CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-
4(3H)-ONE
A2CHW0.71
2071-AMINO-6-CYCLOHEX-3-ENYLMETHYLOXYPURINEA1H0W0.72
PU89-BUTYL-8-(2-CHLORO-3,4,5-TRIMETHOXY-
BENZYL)-9H-PURIN-6-YLAMINE
A1UYD0.71
2A62-ANILINO-6-CYCLOHEXYLMETHOXYPURINEA,C1H1Q0.72
IHI9-CYCLOPENTYL-6-[2-(3-IMIDAZOL-
1-YL-PROPOXY)-PHENYLAMINO]-9H-PURINE-
2-CARBONITRILE
A1U9W0.72
H648-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-
9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE
A2FWY0.71
H648-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-
9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE
A1ZW90.71
HDY1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2-
A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN-
2-OL
A1OIR0.7
R6C(2R)-2-{[6-(BENZYLOXY)-9-ISOPROPYL-
9H-PURIN-2-YL]AMINO}BUTAN-1-OL
A1YHJ0.71
6CPA,C1H1R0.76
5OB5-METHOXYBENZIMIDAZOLEA1JHP0.72
MHR4-(4-propoxy-1H-pyrrolo[2,3-b]pyridin-
3-yl)pyrimidin-2-amine
A,B,C,D3BHU0.71
PU79-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-
9H-PURIN-6-YLAMINE
A1UYC0.72
H718-[(6-IODO-1,3-BENZODIOXOL-5-YL)THIO]-
9-[3-(ISOPROPYLAMINO)PROPYL]-9H-
PURIN-6-AMINE
A2FWZ0.74
LIE2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-
9-ISOPROPYL-9H-PURIN-8-AMINE
A2GTN0.71
PU09-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-
2-FLUORO-9H-PURIN-6-YLAMINE
A1UYH0.7
IHJ9-CYCLOPENTYL-6-{2-[3-(4-METHYL-
PIPERAZIN-1-YL)-PROPOXY]-PHENYLAMINO}-
9H-PURINE-2-CARBONITRILE
A1U9X0.73
PU28-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-
9H-PURIN-6-YLAMINE
A1UYG0.72
PU49-BUTYL-8-(4-METHOXYBENZYL)-9H-
PURIN-6-AMINE
A1UY70.75
PU59-BUTYL-8-(3-METHOXYBENZYL)-9H-
PURIN-6-AMINE
A1UY80.74
N206-CYCLOHEXYLMETHYLOXY-2-(4'-HYDROXYANILINO)PURINEA,B,C,D1OI90.73
H35N-(FURAN-2-YLMETHYL)-7H-PURIN-6-
AMINE
A2UY50.74