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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02187068

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.96
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.96
AE2AETIOCHOLANOLONEA2QP40.87
AE2AETIOCHOLANOLONEA,B1YB10.87
AE2AETIOCHOLANOLONEA2QP30.87
AE2AETIOCHOLANOLONEA,B1X8J0.87
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.87
AE2AETIOCHOLANOLONEH1DBJ0.87
AE2AETIOCHOLANOLONEA1OV40.87
DEB6-DEOXYERYTHRONOLIDE BA1Z8P0.71
DEB6-DEOXYERYTHRONOLIDE BA1JIO0.71
DEB6-DEOXYERYTHRONOLIDE BA1Z8Q0.71
DEB6-DEOXYERYTHRONOLIDE BA1OXA0.71
DEB6-DEOXYERYTHRONOLIDE BA1Z8O0.71
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
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.87
TESTESTOSTERONEA1JTV0.7
TESTESTOSTERONEA2Q7L0.7
TESTESTOSTERONEA2Q7I0.7
TESTESTOSTERONEA,B1J960.7
TESTESTOSTERONEA2Q7K0.7
TESTESTOSTERONEA,B1Q130.7
TESTESTOSTERONEH1I9J0.7
TESTESTOSTERONEA,B1AFS0.7
TESTESTOSTERONEH1VPO0.7
TESTESTOSTERONEA2Q7J0.7
TESTESTOSTERONEA,B3BUR0.7
TESTESTOSTERONEA2AM90.7
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.71
JN3CHENODEOXYCHOLIC ACIDA2JN30.96
AOM5-ALPHA-ANDROSTANE-3-BETA,17BETA-
DIOL
A1LHO0.77
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.96
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.96
SO1A1U2R0.71
SO1A1N0U0.71
SO1T2P8Y0.71
SO1T2P8Z0.71
DHT5-ALPHA-DIHYDROTESTOSTERONEL2PIP0.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7M0.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I380.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T740.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7R0.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PKL0.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T630.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDK0.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA1DHT0.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIR0.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T760.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA2Z4J0.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T790.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIO0.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIV0.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA2QPY0.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA2AMA0.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T650.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIX0.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDM0.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7T0.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T5Z0.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIQ0.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIT0.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIU0.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIW0.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I370.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA1XJ70.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA1D2S0.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA1F5F0.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T730.87
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7F0.87
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.7
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.7
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.7
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.7
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1FMC0.72
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1AHI0.72
CHOGLYCOCHENODEOXYCHOLIC ACIDA2B040.72
FUAFUSIDIC ACIDA1QCA0.71
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.71
FUAFUSIDIC ACIDA,B2VUF0.71
CAH5-EXO-HYDROXYCAMPHORA1NOO0.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB10.93
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB30.93
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2BJF0.93
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D1WB20.93
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1FM40.93
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2W1B0.93
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B1E3V0.93
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A1OS60.93
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A,B,C,D3DTU0.93
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID
A2OPX0.93
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.87
C0RCORTICOSTERONEA2A3I0.72
C0RCORTICOSTERONEA,B1Y5R0.72
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.71
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.71
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.71
AON5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-
DIOL
A1LHN0.77
GCHGLYCOCHOLIC ACIDA2B000.72
GCHGLYCOCHOLIC ACIDA1EIO0.72
CI2(5BETA)-PREGNANE-3,20-DIONEA,C,D1XV90.7
CI2(5BETA)-PREGNANE-3,20-DIONEA,B3CAV0.7
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.73