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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02392851

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CAX(2S,4S)-4-(2,2-DIHYDROXYETHYL)-
2,3,3-TRIMETHYLCYCLOPENTANONE
A,B,C,D,E,F,
G,H,I,J,K,L
1SZO0.78
DHT5-ALPHA-DIHYDROTESTOSTERONEL2PIP0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7M0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I380.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T740.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7R0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PKL0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T630.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDK0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1DHT0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIR0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T760.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2Z4J0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T790.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIO0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIV0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2QPY0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2AMA0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T650.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIX0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDM0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7T0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T5Z0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIQ0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIT0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIU0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIW0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I370.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1XJ70.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1D2S0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1F5F0.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T730.7
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7F0.7
CXPCYCLOHEXANE PROPIONIC ACIDA,B2AY20.71
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.71
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.71
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.71
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.71
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.71
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.71
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.71
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE
A,B2IVD0.73
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE
A,B2IVE0.73
HXD(3R)-3-HYDROXYDODECANOIC ACIDA2DDH0.71
CAH5-EXO-HYDROXYCAMPHORA1NOO0.75
AE2AETIOCHOLANOLONEA2QP40.7
AE2AETIOCHOLANOLONEA,B1YB10.7
AE2AETIOCHOLANOLONEA2QP30.7
AE2AETIOCHOLANOLONEA,B1X8J0.7
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.7
AE2AETIOCHOLANOLONEH1DBJ0.7
AE2AETIOCHOLANOLONEA1OV40.7
PAYOCTANE-1,3,5,7-TETRACARBOXYLIC ACIDA,B2V770.71
LNG12-METHYLTRIDECANOIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W3M0.75
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.71
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.71
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
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.7
HOC(2S)-2-HYDROXYOCTANOIC ACIDA2A850.7
JN3CHENODEOXYCHOLIC ACIDA2JN30.71
GVM(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACIDA,B2UW10.78
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.71
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.71
CHDCHOLIC ACIDA,B2PNJ0.71
CHDCHOLIC ACIDA,B1HRK0.71
CHDCHOLIC ACIDA,B2PO70.71
CHDCHOLIC ACIDA2QO60.71
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.71
CHDCHOLIC ACIDA2AZY0.71
CHDCHOLIC ACIDA,B,C2DQY0.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.71
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.71
CHDCHOLIC ACIDA,B,C,D2QD10.71
CHDCHOLIC ACIDA2FT90.71
CHDCHOLIC ACIDA,B2HRC0.71
CHDCHOLIC ACIDA,B1TW40.71
CHDCHOLIC ACIDA,B2QD30.71
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.71
CHDCHOLIC ACIDA2RLC0.71
CHDCHOLIC ACIDA,B1ON50.71
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z
2ZXW0.71
CHDCHOLIC ACIDA,B2QD40.71
CHDCHOLIC ACIDA2QO50.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.71
CHDCHOLIC ACIDA,B2QD20.71
CHDCHOLIC ACIDA,B,C3ELZ0.71
CHDCHOLIC ACIDA,B2PO50.71
CHDCHOLIC ACIDA,B1S9Q0.71
CHDCHOLIC ACIDA,B1EE20.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.71
CHDCHOLIC ACIDA,B,C,D2HRE0.71
CHDCHOLIC ACIDA,B2QD50.71
CHDCHOLIC ACIDA,B3EM00.71
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.71
CHDCHOLIC ACIDA2QO40.71
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.71
F24(3R,5S,7R,12S,13R)-13-FORMYL-12,14-
DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID
A2F9A0.77