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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02324966

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
GVM(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACIDA,B2UW10.83
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.8
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.8
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.8
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.8
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.8
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.8
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.8
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.8
PAYOCTANE-1,3,5,7-TETRACARBOXYLIC ACIDA,B2V770.72
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE
A,B2IVD0.75
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE
A,B2IVE0.75
CAH5-EXO-HYDROXYCAMPHORA1NOO0.71
LIM3-OXO-PENTADECANOIC ACIDA2FCP0.71
LIM3-OXO-PENTADECANOIC ACIDA1UJW0.71
LIM3-OXO-PENTADECANOIC ACIDA1FCP0.71
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.7
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.7
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.7
CAX(2S,4S)-4-(2,2-DIHYDROXYETHYL)-
2,3,3-TRIMETHYLCYCLOPENTANONE
A,B,C,D,E,F,
G,H,I,J,K,L
1SZO0.74
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.73
F24(3R,5S,7R,12S,13R)-13-FORMYL-12,14-
DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID
A2F9A0.85
DEB6-DEOXYERYTHRONOLIDE BA1Z8P0.78
DEB6-DEOXYERYTHRONOLIDE BA1JIO0.78
DEB6-DEOXYERYTHRONOLIDE BA1Z8Q0.78
DEB6-DEOXYERYTHRONOLIDE BA1OXA0.78
DEB6-DEOXYERYTHRONOLIDE BA1Z8O0.78
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA2FCP0.77
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA1FCP0.77
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB10.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB30.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2BJF0.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB20.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1FM40.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2W1B0.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B1E3V0.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1OS60.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D3DTU0.7
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2OPX0.7
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.77
EOD11-[(2R,3S)-3-PENTYLOXIRAN-2-YL]UNDECANOIC ACIDA,B,C2DIO0.71