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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02178929

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.77
DHT5-ALPHA-DIHYDROTESTOSTERONEL2PIP0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7M0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I380.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T740.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7R0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PKL0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T630.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDK0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1DHT0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIR0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T760.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2Z4J0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T790.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIO0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIV0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2QPY0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2AMA0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T650.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIX0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDM0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7T0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T5Z0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIQ0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIT0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIU0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIW0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I370.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1XJ70.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1D2S0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1F5F0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T730.72
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7F0.72
2OBCHOLESTERYL OLEATEA2OBD0.71
F24(3R,5S,7R,12S,13R)-13-FORMYL-12,14-
DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID
A2F9A0.71
CLLCHOLESTERYL LINOLEATEA,B1CLE0.71
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.72
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
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE
A,B2IVD0.88
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE
A,B2IVE0.88
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.76
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.76
AE2AETIOCHOLANOLONEA2QP40.72
AE2AETIOCHOLANOLONEA,B1YB10.72
AE2AETIOCHOLANOLONEA2QP30.72
AE2AETIOCHOLANOLONEA,B1X8J0.72
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.72
AE2AETIOCHOLANOLONEH1DBJ0.72
AE2AETIOCHOLANOLONEA1OV40.72
CAH5-EXO-HYDROXYCAMPHORA1NOO0.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB10.78
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB30.78
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2BJF0.78
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB20.78
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1FM40.78
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2W1B0.78
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B1E3V0.78
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1OS60.78
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D3DTU0.78
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2OPX0.78
JN3CHENODEOXYCHOLIC ACIDA2JN30.76
CNSHEXADECYL OCTANOATEA,B1U9O0.71
CNSHEXADECYL OCTANOATEA1U9N0.71
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.76
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.76
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