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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02393146

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.71
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.71
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.71
0MAmaslinic acidA2QN20.7
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.71
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB10.99
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB30.99
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2BJF0.99
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB20.99
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1FM40.99
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2W1B0.99
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B1E3V0.99
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1OS60.99
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D3DTU0.99
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2OPX0.99
CHDCHOLIC ACIDA,B2PNJ0.96
CHDCHOLIC ACIDA,B1HRK0.96
CHDCHOLIC ACIDA,B2PO70.96
CHDCHOLIC ACIDA2QO60.96
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z
1V550.96
CHDCHOLIC ACIDA2AZY0.96
CHDCHOLIC ACIDA,B,C2DQY0.96
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z
2EIN0.96
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z
2EIJ0.96
CHDCHOLIC ACIDA,B,C,D2QD10.96
CHDCHOLIC ACIDA2FT90.96
CHDCHOLIC ACIDA,B2HRC0.96
CHDCHOLIC ACIDA,B1TW40.96
CHDCHOLIC ACIDA,B2QD30.96
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z
1V540.96
CHDCHOLIC ACIDA2RLC0.96
CHDCHOLIC ACIDA,B1ON50.96
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z
2ZXW0.96
CHDCHOLIC ACIDA,B2QD40.96
CHDCHOLIC ACIDA2QO50.96
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2DYS0.96
CHDCHOLIC ACIDA,B2QD20.96
CHDCHOLIC ACIDA,B,C3ELZ0.96
CHDCHOLIC ACIDA,B2PO50.96
CHDCHOLIC ACIDA,B1S9Q0.96
CHDCHOLIC ACIDA,B1EE20.96
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2DYR0.96
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z
2EIM0.96
CHDCHOLIC ACIDA,B,C,D2HRE0.96
CHDCHOLIC ACIDA,B2QD50.96
CHDCHOLIC ACIDA,B3EM00.96
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z
2EIL0.96
CHDCHOLIC ACIDA2QO40.96
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z
2EIK0.96
5SD5ALPHA-ANDROSTAN-3,17-DIONEA1QYW0.71
5SD5ALPHA-ANDROSTAN-3,17-DIONEA,B,C1OHS0.71
AON5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-
DIOL
A1LHN0.82
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1FMC0.71
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1AHI0.71
CHOGLYCOCHENODEOXYCHOLIC ACIDA2B040.71
F24(3R,5S,7R,12S,13R)-13-FORMYL-12,14-
DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID
A2F9A0.71
CAH5-EXO-HYDROXYCAMPHORA1NOO0.71
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.96
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.96
ESRESTRADIOLA,B,C,D1OHP0.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.71
AE2AETIOCHOLANOLONEA2QP40.9
AE2AETIOCHOLANOLONEA,B1YB10.9
AE2AETIOCHOLANOLONEA2QP30.9
AE2AETIOCHOLANOLONEA,B1X8J0.9
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.9
AE2AETIOCHOLANOLONEH1DBJ0.9
AE2AETIOCHOLANOLONEA1OV40.9
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.9
0ASasiatic acidA2QN10.72
ANO5-BETA-ANDROSTANE-3,17-DIONEH,L2O5Z0.71
ANO5-BETA-ANDROSTANE-3,17-DIONEH1DBK0.71
CI2(5BETA)-PREGNANE-3,20-DIONEA,C,D1XV90.72
CI2(5BETA)-PREGNANE-3,20-DIONEA,B3CAV0.72
DHT5-ALPHA-DIHYDROTESTOSTERONEL2PIP0.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7M0.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I380.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T740.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7R0.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PKL0.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T630.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDK0.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA1DHT0.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIR0.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T760.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA2Z4J0.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T790.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIO0.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIV0.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA2QPY0.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA2AMA0.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T650.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIX0.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDM0.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7T0.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T5Z0.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIQ0.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIT0.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIU0.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIW0.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I370.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA1XJ70.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA1D2S0.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA1F5F0.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T730.9
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7F0.9
AOM5-ALPHA-ANDROSTANE-3-BETA,17BETA-
DIOL
A1LHO0.82