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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03078522

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
1DG(4R)-ISONICOTINIC-ACETYL-NICOTINAMIDE-
ADENINE DINUCLEOTIDE
A2CIG0.73
8FGN-(5'-PHOSPHO-2'-DEOXYGUANOSIN-
8-YL)-2-ACETYLAMINOFLUORENE
A,C,D1X9M0.76
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE
A,P,T2JEF0.74
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE
A,P,T2JEG0.74
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE
A,T2JEI0.74
BZG6-(BENZYLOXY)-9-(2-DEOXY-5-O-PHOSPHONO-
BETA-D-ERYTHRO-PENTOFURANOSYL)-
9H-PURIN-2-AMINE
A,P,T2JEJ0.74
6FA6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDEA,B1NAA0.73
6FA6-HYDROXY-FLAVIN-ADENINE DINUCLEOTIDEA,B1KDG0.73
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,F2ISC0.71
3AA3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATEA,B,E,F1F6M0.78
A3D3-ACETYLPYRIDINE ADENINE DINUCLEOTIDEA,B,C,D1PZG0.77
A3D3-ACETYLPYRIDINE ADENINE DINUCLEOTIDEA1DRV0.77
A3D3-ACETYLPYRIDINE ADENINE DINUCLEOTIDEA,B2EWD0.77
A3D3-ACETYLPYRIDINE ADENINE DINUCLEOTIDEA,B,C,D1PZF0.77
ABS(S)-(N-PHENYL-2-HYDROXY-ETHYL)-
2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE
A1K5F0.8
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE
C2OXM0.81
4MF1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-
ERYTHRO-PENTOFURANOSYL)-4-METHYL-
1H-INDOLE
B,C2OYT0.81
ANZA2V0C0.75
ANZA,B,D,F2V0G0.75
5MB5-METHYLBENZIMIDAZOLEA1JHM0.7
8IDNICOTINAMIDE-8-IODO-ADENINE-DINUCLEOTIDEA,B,C,D2HCY0.75
1DA1-DEAZA-ADENOSINEA1ADD0.78
1RB1-ALPHA-D-RIBOFURANOSYL-BENZIMIAZOLE-
5'-PHOSPHATE
A1L5K0.92
ABR(R)-(N-PHENYL-2-HYDROXY-ETHYL)-
2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE
A1K5E0.8
B12COBALAMINA3GAI0.74
B12COBALAMINA,C,E,G1DDY0.74
B12COBALAMINA3CI30.74
B12COBALAMINA3REQ0.74
B12COBALAMINA3GAH0.74
B12COBALAMINA,B1G640.74
B12COBALAMINA,B,C,D1REQ0.74
B12COBALAMINA,B2BB50.74
B12COBALAMINA,B,C,D7REQ0.74
B12COBALAMINA,B,C,D2BB60.74
B12COBALAMINA3GAJ0.74
B12COBALAMINA,B,E,L1IWB0.74
B12COBALAMINA,B,C,D5REQ0.74
B12COBALAMINA,C2REQ0.74
B12COBALAMINA,B,C,D4REQ0.74
B12COBALAMINA,C2PMV0.74
B12COBALAMINA3CI10.74
B12COBALAMINA3BUL0.74
B12COBALAMINA,B,E,L1IWP0.74
B12COBALAMINA1K7Y0.74
B12COBALAMINA,B,E,L1MMF0.74
B12COBALAMINA1K980.74
B12COBALAMINA2V3N0.74
B12COBALAMINA,B,E,L1DIO0.74
B12COBALAMINA,C1E1C0.74
B12COBALAMINA2V3P0.74
B12COBALAMINA,C6REQ0.74
B12COBALAMINA,B,C,D1I9C0.74
B12COBALAMINB1XRS0.74
B12COBALAMINA,B2H9A0.74
B12COBALAMINA2BBC0.74
3GO4-[[(2R,3S,4R,5R)-5-[6-amino-8-
(quinolin-6-ylmethylamino)purin-
9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile
A3FZM0.72
3BK(2R,3R,4S,5R)-2-[6-amino-8-[(3,4-
dichlorophenyl)methylamino]purin-
9-yl]-5-(hydroxymethyl)oxolane-
3,4-diol
A3FZK0.76