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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03255016

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ABS(S)-(N-PHENYL-2-HYDROXY-ETHYL)-
2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE
A1K5F0.76
A3D3-ACETYLPYRIDINE ADENINE DINUCLEOTIDEA,B,C,D1PZG0.73
A3D3-ACETYLPYRIDINE ADENINE DINUCLEOTIDEA1DRV0.73
A3D3-ACETYLPYRIDINE ADENINE DINUCLEOTIDEA,B2EWD0.73
A3D3-ACETYLPYRIDINE ADENINE DINUCLEOTIDEA,B,C,D1PZF0.73
090N-(2,3-DIHYDRO-7,8-DIMETHOXYIMIDAZO[1,2-
C] QUINAZOLIN-5-YL)NICOTINAMIDE
A2CHX0.71
BCA4-HYDROXYBENZOYL COENZYME AA,B,C1NZY0.73
BCA4-HYDROXYBENZOYL COENZYME AA,B,C1JXZ0.73
BCA4-HYDROXYBENZOYL COENZYME AA1LO90.73
3914-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-
(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE
A2ORS0.71
3FD4-[[(2R,3S,4R,5R)-5-[6-amino-8-
[(3,4-dichlorophenyl)methylamino]purin-
9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile
A3FZL0.73
4CO4-HYDROXYPHENACYL COENZYME AA,B1Q4T0.73
4CO4-HYDROXYPHENACYL COENZYME AA1LO70.73
ANZA2V0C0.71
ANZA,B,D,F2V0G0.71
3BK(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-
dichlorophenyl)methylamino]purin-
9-yl]-5-(hydroxymethyl)oxolane-
3,4-diol
A3FZK0.72
3GO4-[[(2R,3S,4R,5R)-5-[6-amino-8-
(quinolin-6-ylmethylamino)purin-
9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile
A3FZM0.71
4CA4-HYDROXYBENZYL COENZYME AA1LO80.72
4CA4-HYDROXYBENZYL COENZYME AA1Q4U0.72
CL4N-{3-[5-(6-AMINO-PURIN-9-YL)-3,4-
DIHYDROXY-TETRAHYDRO-FURAN-2-YL]-
ALLYL}-2,3-DIHYDROXY-5-NITRO-BENZAMIDE
A1JR40.73
CK92-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-
9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL
X2A0C0.73
ABR(R)-(N-PHENYL-2-HYDROXY-ETHYL)-
2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE
A1K5E0.76
1DA1-DEAZA-ADENOSINEA1ADD0.72
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE
A,P,T2JEF0.8
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE
A,P,T2JEG0.8
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE
A,T2JEI0.8
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE
A,P,T2JEJ0.8
3AA3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATEA,B,E,F1F6M0.71
AD33-DEAZA-ADENOSINEA,B1KIE0.72
AD33-DEAZA-ADENOSINEA,B,C,D2ZIZ0.72
AD33-DEAZA-ADENOSINEA,B1R4F0.72
AD33-DEAZA-ADENOSINEA,B1HP00.72
00A5'-O-[(S)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosineX3CW80.75
8IDNICOTINAMIDE-8-IODO-ADENINE-DINUCLEOTIDEA,B,C,D2HCY0.72