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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03255009

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2181-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-3-(2-HYDROXYETHYL)-2-
METHYLPYRIDINIUM
A2HOP0.72
3GO4-[[(2R,3S,4R,5R)-5-[6-amino-8-
(quinolin-6-ylmethylamino)purin-
9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile
A3FZM0.8
3BK(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-
dichlorophenyl)methylamino]purin-
9-yl]-5-(hydroxymethyl)oxolane-
3,4-diol
A3FZK0.89
3BH(2R,3R,4S,5R)-2-(6,8-diaminopurin-
9-yl)-5-(hydroxymethyl)oxolane-
3,4-diol
A3FZH0.72
2A62-ANILINO-6-CYCLOHEXYLMETHOXYPURINEA,C1H1Q0.73
1DA1-DEAZA-ADENOSINEA1ADD0.83
3AD3'-DEOXYADENOSINEA,B3B4B0.71
3AD3'-DEOXYADENOSINEA,B3B4C0.71
3AD3'-DEOXYADENOSINEA,B1FA00.71
3FD4-[[(2R,3S,4R,5R)-5-[6-amino-8-
[(3,4-dichlorophenyl)methylamino]purin-
9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile
A3FZL0.82
00A5'-O-[(S)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosineX3CW80.78
2BUA1U6C0.7
2BUA1U6O0.7
01A4-Chlorophenacyl-coenzyme AA,B3CW90.73
1BM3-{[2-(1H-BENZIMIDAZOL-1-YL)-6-
{[2-(DIETHYLAMINO)ETHYL]AMINO}PYRIMIDIN-
4-YL]AMINO}-4-METHYLPHENOL
A2HK50.74
223(3R,4R)-1-[(4-AMINO-5H-PYRROLO[3,2-
D]PYRIMIDIN-7-YL)METHYL]-4-(HYDROXYMETHYL)PYRROLIDIN-
3-OL
A,B,C,D,E,F2ISC0.78
26A6N-DIMETHYLADENOSINEA2A9Y0.71
26A6N-DIMETHYLADENOSINEA2A9Z0.71
3DD(2R,3R)-4-(4-AMINO-1H-IMIDAZO[4,5-
C]PYRIDIN-1-YL)-2,3-DIHYDROXYBUTANOIC ACID
A,B,C,D,E,F,
G,H
2H5L0.73
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A1Z350.71
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A2PKK0.71
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A,B,C,D2ZJ00.71
2FA2-(6-AMINO-2-FLUORO-PURIN-9-YL)-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
3,4-DIOL
A,B,C1PK90.71
24A{[(4-{[2-(4-AMINOCYCLOHEXYL)-9-
ETHYL-9H-PURIN-6-YL]AMINO}PHENYL)(HYDROXY)PHOSPHORYL]METHYL}PHOSPHONIC ACID
A,B2BDF0.74
1RB1-ALPHA-D-RIBOFURANOSYL-BENZIMIAZOLE-
5'-PHOSPHATE
A1L5K0.78
3AA3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATEA,B,E,F1F6M0.8
1DG(4R)-ISONICOTINIC-ACETYL-NICOTINAMIDE-
ADENINE DINUCLEOTIDE
A2CIG0.76