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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03746845

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
PU09-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-
2-FLUORO-9H-PURIN-6-YLAMINE
A1UYH0.71
FRC1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-
1H-IMIDAZONE-4-CARBOXAMIDE
A1V7A0.76
R862-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-
6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-
2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE
A2ORP0.72
3P45-[2-(BUT-3-EN-1-YLOXY)-5-(1-HYDROXYVINYL)PYRIDIN-
3-YL]-3-ETHYL-2-(1-ETHYLAZETIDIN-
3-YL)-1,2,6,7A-TETRAHYDRO-7H-PYRAZOLO[4,3-
D]PYRIMIDIN-7-ONE
A2CHM0.71
VDN2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-5-METHYL-
7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-
4(1H)-ONE
A1XP00.83
VDN2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-5-METHYL-
7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-
4(1H)-ONE
A,B3B2R0.83
VDN2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-5-METHYL-
7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-
4(1H)-ONE
A,B1XOT0.83
VDN2-{2-ETHOXY-5-[(4-ETHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-5-METHYL-
7-PROPYLIMIDAZO[5,1-F][1,2,4]TRIAZIN-
4(1H)-ONE
A1UHO0.83
U66(20S)-19,20,22,23-TETRAHYDRO-19-
OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-
6,10-METHENOBENZ[D]IMIDAZO[4,3-
L][1,6,9,13]OXATRIAZACYCLONOADECOSINE-
9-CARBONITRILE
B1LD70.7
PU59-BUTYL-8-(3-METHOXYBENZYL)-9H-
PURIN-6-AMINE
A1UY80.72
VIA5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-1-METHYL-
3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-
D]PYRIMIDIN-7-ONE
A1XOS0.71
VIA5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-1-METHYL-
3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-
D]PYRIMIDIN-7-ONE
A1TBF0.71
VIA5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-1-METHYL-
3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-
D]PYRIMIDIN-7-ONE
A,B,C2H420.71
VIA5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-
1-YL)SULFONYL]PHENYL}-1-METHYL-
3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-
D]PYRIMIDIN-7-ONE
A1UDT0.71
BZCA1EFY0.72
PU79-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-
9H-PURIN-6-YLAMINE
A1UYC0.71
PU49-BUTYL-8-(4-METHOXYBENZYL)-9H-
PURIN-6-AMINE
A1UY70.72