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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02825490

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.71
5HD5-(2-hydroxyethyl)nonane-1,9-diolA3DWB0.7
PAYOCTANE-1,3,5,7-TETRACARBOXYLIC ACIDA,B2V770.72
ARC3,7,11,15-TETRAMETHYL-HEXADECAN-
1-OL
A,B,C1BRR0.71
YML[(3R,4S,5S,7R)-4,8-DIHYDROXY-3,5,7-
TRIMETHYL-2-OXOOCTYL]PHOSPHONIC ACID
A,B2HFJ0.81
CAX(2S,4S)-4-(2,2-DIHYDROXYETHYL)-
2,3,3-TRIMETHYLCYCLOPENTANONE
A,B,C,D,E,F,
G,H,I,J,K,L
1SZO0.77
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.76
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.76
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.76
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.76
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.76
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.76
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.76
OOA3-OXOOCTANOIC ACIDA,B,C,D1H0M0.72
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.76
OHA10-oxohexadecanoic acidA,B,C,D2OD60.7
F24(3R,5S,7R,12S,13R)-13-FORMYL-12,14-
DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID
A2F9A0.79
KTA(S)-CYCLOHEXANONE-2-ACETATEA,B2J5S0.7
BFC(R)-3-HYDROXYTETRADECANALA2NPV0.8
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.73
LIM3-OXO-PENTADECANOIC ACIDA2FCP0.74
LIM3-OXO-PENTADECANOIC ACIDA1UJW0.74
LIM3-OXO-PENTADECANOIC ACIDA1FCP0.74
CAH5-EXO-HYDROXYCAMPHORA1NOO0.73
12H12-HYDROXYDODECANOIC ACIDA,B1M6W0.71
LTL6-HYDROXY-6-METHYL-HEPTAN-3-ONEA1I050.73
DEB6-DEOXYERYTHRONOLIDE BA1Z8P0.75
DEB6-DEOXYERYTHRONOLIDE BA1JIO0.75
DEB6-DEOXYERYTHRONOLIDE BA1Z8Q0.75
DEB6-DEOXYERYTHRONOLIDE BA1OXA0.75
DEB6-DEOXYERYTHRONOLIDE BA1Z8O0.75
GVM(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACIDA,B2UW10.7
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.78