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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03767552

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVK0.7
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2DWD0.7
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEC2DWE0.7
L2C(2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATEA,C2HVJ0.7
CAX(2S,4S)-4-(2,2-DIHYDROXYETHYL)-
2,3,3-TRIMETHYLCYCLOPENTANONE
A,B,C,D,E,F,
G,H,I,J,K,L
1SZO0.72
DEB6-DEOXYERYTHRONOLIDE BA1Z8P0.79
DEB6-DEOXYERYTHRONOLIDE BA1JIO0.79
DEB6-DEOXYERYTHRONOLIDE BA1Z8Q0.79
DEB6-DEOXYERYTHRONOLIDE BA1OXA0.79
DEB6-DEOXYERYTHRONOLIDE BA1Z8O0.79
PAYOCTANE-1,3,5,7-TETRACARBOXYLIC ACIDA,B2V770.71
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.76
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.76
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.76
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB10.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB30.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2BJF0.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB20.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1FM40.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2W1B0.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B1E3V0.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1OS60.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D3DTU0.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2OPX0.74
JN3CHENODEOXYCHOLIC ACIDA2JN30.76
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.7
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.7
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.76
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.76
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.71
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.71
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.71
CAH5-EXO-HYDROXYCAMPHORA1NOO0.72
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.7
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.7
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.7
F24(3R,5S,7R,12S,13R)-13-FORMYL-12,14-
DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID
A2F9A0.77
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE
A,B2IVD0.82
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE
A,B2IVE0.82
CHDCHOLIC ACIDA,B2PNJ0.76
CHDCHOLIC ACIDA,B1HRK0.76
CHDCHOLIC ACIDA,B2PO70.76
CHDCHOLIC ACIDA2QO60.76
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.76
CHDCHOLIC ACIDA2AZY0.76
CHDCHOLIC ACIDA,B,C2DQY0.76
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.76
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.76
CHDCHOLIC ACIDA,B,C,D2QD10.76
CHDCHOLIC ACIDA2FT90.76
CHDCHOLIC ACIDA,B2HRC0.76
CHDCHOLIC ACIDA,B1TW40.76
CHDCHOLIC ACIDA,B2QD30.76
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.76
CHDCHOLIC ACIDA2RLC0.76
CHDCHOLIC ACIDA,B1ON50.76
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z
2ZXW0.76
CHDCHOLIC ACIDA,B2QD40.76
CHDCHOLIC ACIDA2QO50.76
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.76
CHDCHOLIC ACIDA,B2QD20.76
CHDCHOLIC ACIDA,B,C3ELZ0.76
CHDCHOLIC ACIDA,B2PO50.76
CHDCHOLIC ACIDA,B1S9Q0.76
CHDCHOLIC ACIDA,B1EE20.76
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.76
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.76
CHDCHOLIC ACIDA,B,C,D2HRE0.76
CHDCHOLIC ACIDA,B2QD50.76
CHDCHOLIC ACIDA,B3EM00.76
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.76
CHDCHOLIC ACIDA2QO40.76
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.76