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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03204642

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3AA3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATEA,B,E,F1F6M0.77
ABS(S)-(N-PHENYL-2-HYDROXY-ETHYL)-
2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE
A1K5F0.71
IDD(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-
2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2-
A]PYRIDINE-6,7,8-TRIOL
A1X380.72
IDD(5R,6R,7S,8S)-5-(HYDROXYMETHYL)-
2-PHENYL-5,6,7,8-TETRAHYDROIMIDAZO[1,2-
A]PYRIDINE-6,7,8-TRIOL
A1LQ20.72
NVG4-AMINO-1-(5-{[3-(1H-BENZIMIDAZOL-
2-YL)PROPANOYL]AMINO}-5-DEOXY-ALPHA-
L-LYXOFURANOSYL)PYRIMIDIN-2(1H)-
ONE
A,B2V2Q0.72
00A5'-O-[(S)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosineX3CW80.71
AD33-DEAZA-ADENOSINEA,B1KIE0.79
AD33-DEAZA-ADENOSINEA,B,C,D2ZIZ0.79
AD33-DEAZA-ADENOSINEA,B1R4F0.79
AD33-DEAZA-ADENOSINEA,B1HP00.79
PMON1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-
METHOXYBENZIMIDAZOLE
A1JHQ0.78
NHV(5R,6R,7S,8R)-6,7,8-trihydroxy-
5-(hydroxymethyl)-2-[(phenylamino)methyl]-
5,6,7,8-tetrahydro-1H-imidazo[1,2-
a]pyridin-4-ium
A,B2VOT0.71
MBZ1-[2-DEOXYRIBOFURANOSYL]-4-METHYL-
BENZOIMIDAZOLE-5'-MONOPHOSPHATE
1,21EEK0.84
DBIPHOSPHORIC ACID MONO-[5-(5,6-DIMETHYL-
BENZOIMIDAZOL-1-YL)-4-HYDROXY-2-
HYDROXYMETHYL-TETRAHYDRO-FURAN-
3-YL] ESTER
A1ID80.84
FYAADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE]A,B2IY50.74
FYAADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE]A1B7Y0.74
TAP7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATEA1DR20.74
TAP7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATEA1DR30.74
TAP7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATEA,B1PT90.74
XGA6-AMINO-3-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
3,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-
8-ONE
A,B2ICZ0.71
A3D3-ACETYLPYRIDINE ADENINE DINUCLEOTIDEA,B,C,D1PZG0.7
A3D3-ACETYLPYRIDINE ADENINE DINUCLEOTIDEA1DRV0.7
A3D3-ACETYLPYRIDINE ADENINE DINUCLEOTIDEA,B2EWD0.7
A3D3-ACETYLPYRIDINE ADENINE DINUCLEOTIDEA,B,C,D1PZF0.7
IDE(5R,6R,7S,8S)-3-(ANILINOMETHYL)-
5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-
IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL
A1X390.72
IDE(5R,6R,7S,8S)-3-(ANILINOMETHYL)-
5,6,7,8-TETRAHYDRO-5-(HYDROXYMETHYL)-
IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL
A,B2J7C0.72
RFZ5,6-dichloro-1-beta-D-ribofuranosyl-
1H-benzimidazole
A,B3H300.97
NBSA1KSW0.76
FA5ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE]A3CMQ0.7
FA5ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE]A,B1JJC0.7
ABR(R)-(N-PHENYL-2-HYDROXY-ETHYL)-
2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE
A1K5E0.71
SNDTHIONICOTINAMIDE-ADENINE-DINUCLEOTIDEA,B,C,D1IHX0.74
SNDTHIONICOTINAMIDE-ADENINE-DINUCLEOTIDEA,B,C1PTJ0.74
V125'-[(1H-BENZIMIDAZOL-2-YLACETYL)AMINO]-
5'-DEOXYCYTIDINE
A,B2V2V0.72
1DA1-DEAZA-ADENOSINEA1ADD0.78
RMBN1-(5'-PHOSPHO-ALPHA-RIBOSYL)-5-
METHYLBENZIMIDAZOLE
A1JHO0.85
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
A2IZU0.7
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
A,B1YOM0.7
P012-({6-[(3-CHLOROPHENYL)AMINO]-9-
ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
A2Z7S0.7
AP9(2S)-2-({6-[(3-AMINO-5-CHLOROPHENYL)AMINO]-
9-ISOPROPYL-9H-PURIN-2-YL}AMINO)-
3-METHYLBUTAN-1-OL
B2F2C0.7
3BK(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-
dichlorophenyl)methylamino]purin-
9-yl]-5-(hydroxymethyl)oxolane-
3,4-diol
A3FZK0.79
NDA3-AMINOMETHYL-PYRIDINIUM-ADENINE-
DINUCLEOTIDE
A,B,C,D1EBU0.75
RBZALPHA-RIBAZOLE-5'-PHOSPHATEA1D0V0.84
RBZALPHA-RIBAZOLE-5'-PHOSPHATEA1L4E0.84
3FD4-[[(2R,3S,4R,5R)-5-[6-amino-8-
[(3,4-dichlorophenyl)methylamino]purin-
9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile
A3FZL0.71
XAE3-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-3H-IMIDAZO[4,5-
G]QUINAZOLIN-8-AMINE
A,B2ICZ0.78
1RB1-ALPHA-D-RIBOFURANOSYL-BENZIMIAZOLE-
5'-PHOSPHATE
A1L5K0.91