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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02392734

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
F24(3R,5S,7R,12S,13R)-13-FORMYL-12,14-
DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID		A2F9A0.85
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.83
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.83
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.83
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.83
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.83
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.83
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.83
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.83
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.79
DEB6-DEOXYERYTHRONOLIDE BA1Z8P0.78
DEB6-DEOXYERYTHRONOLIDE BA1JIO0.78
DEB6-DEOXYERYTHRONOLIDE BA1Z8Q0.78
DEB6-DEOXYERYTHRONOLIDE BA1OXA0.78
DEB6-DEOXYERYTHRONOLIDE BA1Z8O0.78
GVM(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACIDA,B2UW10.77
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W3M0.77
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID		I1E800.74
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID		I1EED0.74
CHS4-AMINO-5-CYCLOHEXYL-3-HYDROXY-
PENTANOIC ACID		I2ER00.74
KTA(S)-CYCLOHEXANONE-2-ACETATEA,B2J5S0.74
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA2FCP0.74
LIL2-TRIDECANOYLOXY-PENTADECANOIC ACIDA1FCP0.74
BFC(R)-3-HYDROXYTETRADECANALA2NPV0.73
CAH5-EXO-HYDROXYCAMPHORA1NOO0.73
12H12-HYDROXYDODECANOIC ACIDA,B1M6W0.72
PAYOCTANE-1,3,5,7-TETRACARBOXYLIC ACIDA,B2V770.72
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE		A,B2IVD0.72
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE		A,B2IVE0.72
HOC(2S)-2-HYDROXYOCTANOIC ACIDA2A850.72
YML[(3R,4S,5S,7R)-4,8-DIHYDROXY-3,5,7-
TRIMETHYL-2-OXOOCTYL]PHOSPHONIC ACID		A,B2HFJ0.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB10.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB30.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2BJF0.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB20.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1FM40.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2W1B0.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B1E3V0.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1OS60.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D3DTU0.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2OPX0.72
3PA3-CYCLOPENTYL-PROPIONIC ACIDC1FAV0.71
STASTATINEE1EPP0.71
STASTATINEI1XN30.71
STASTATINEA,B,I,J2FIV0.71
STASTATINEA,B,C,D1QS80.71
STASTATINEA,B2RMP0.71
STASTATINEE,I1APU0.71
STASTATINEA,I1GVU0.71
STASTATINEI3ER50.71
STASTATINEI2ER90.71
STASTATINEE,I4ER20.71
STASTATINEA,C,I,J,K2B7F0.71
STASTATINEA,B,C5HVP0.71
STASTATINEA,I1GVV0.71
STASTATINEA,I1WKR0.71
STASTATINEI5APR0.71
STASTATINEI1PSO0.71
STASTATINEI6APR0.71
STASTATINEA1FQ50.71
STASTATINEA,I3FNT0.71
STASTATINEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		3FV30.71
STASTATINEA,B,C,D,I,J1LYB0.71
STASTATINEB1FIV0.71
STASTATINEI4APR0.71
LIM3-OXO-PENTADECANOIC ACIDA2FCP0.71
LIM3-OXO-PENTADECANOIC ACIDA1UJW0.71
LIM3-OXO-PENTADECANOIC ACIDA1FCP0.71
CAX(2S,4S)-4-(2,2-DIHYDROXYETHYL)-
2,3,3-TRIMETHYLCYCLOPENTANONE		A,B,C,D,E,F,
G,H,I,J,K,L		1SZO0.71
3OC(1R)-3-oxocyclohexanecarboxylic acidA,B3DZL0.71
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.7
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.7
JN3CHENODEOXYCHOLIC ACIDA2JN30.7
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.7
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.7
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
CHDCHOLIC ACIDA,B2PNJ0.7
CHDCHOLIC ACIDA,B1HRK0.7
CHDCHOLIC ACIDA,B2PO70.7
CHDCHOLIC ACIDA2QO60.7
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.7
CHDCHOLIC ACIDA2AZY0.7
CHDCHOLIC ACIDA,B,C2DQY0.7
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.7
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.7
CHDCHOLIC ACIDA,B,C,D2QD10.7
CHDCHOLIC ACIDA2FT90.7
CHDCHOLIC ACIDA,B2HRC0.7
CHDCHOLIC ACIDA,B1TW40.7
CHDCHOLIC ACIDA,B2QD30.7
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.7
CHDCHOLIC ACIDA2RLC0.7
CHDCHOLIC ACIDA,B1ON50.7
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.7
CHDCHOLIC ACIDA,B2QD40.7
CHDCHOLIC ACIDA2QO50.7
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.7
CHDCHOLIC ACIDA,B2QD20.7
CHDCHOLIC ACIDA,B,C3ELZ0.7
CHDCHOLIC ACIDA,B2PO50.7
CHDCHOLIC ACIDA,B1S9Q0.7
CHDCHOLIC ACIDA,B1EE20.7
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.7
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.7
CHDCHOLIC ACIDA,B,C,D2HRE0.7
CHDCHOLIC ACIDA,B2QD50.7
CHDCHOLIC ACIDA,B3EM00.7
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.7
CHDCHOLIC ACIDA2QO40.7
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.7