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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00460730

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		1SZO0.7
CHDCHOLIC ACIDA,B2PNJ0.84
CHDCHOLIC ACIDA,B1HRK0.84
CHDCHOLIC ACIDA,B2PO70.84
CHDCHOLIC ACIDA2QO60.84
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.84
CHDCHOLIC ACIDA2AZY0.84
CHDCHOLIC ACIDA,B,C2DQY0.84
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.84
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.84
CHDCHOLIC ACIDA,B,C,D2QD10.84
CHDCHOLIC ACIDA2FT90.84
CHDCHOLIC ACIDA,B2HRC0.84
CHDCHOLIC ACIDA,B1TW40.84
CHDCHOLIC ACIDA,B2QD30.84
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.84
CHDCHOLIC ACIDA2RLC0.84
CHDCHOLIC ACIDA,B1ON50.84
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.84
CHDCHOLIC ACIDA,B2QD40.84
CHDCHOLIC ACIDA2QO50.84
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.84
CHDCHOLIC ACIDA,B2QD20.84
CHDCHOLIC ACIDA,B,C3ELZ0.84
CHDCHOLIC ACIDA,B2PO50.84
CHDCHOLIC ACIDA,B1S9Q0.84
CHDCHOLIC ACIDA,B1EE20.84
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.84
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.84
CHDCHOLIC ACIDA,B,C,D2HRE0.84
CHDCHOLIC ACIDA,B2QD50.84
CHDCHOLIC ACIDA,B3EM00.84
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.84
CHDCHOLIC ACIDA2QO40.84
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.84
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.94
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.84
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.84
JN3CHENODEOXYCHOLIC ACIDA2JN30.84
AE2AETIOCHOLANOLONEA2QP40.94
AE2AETIOCHOLANOLONEA,B1YB10.94
AE2AETIOCHOLANOLONEA2QP30.94
AE2AETIOCHOLANOLONEA,B1X8J0.94
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.94
AE2AETIOCHOLANOLONEH1DBJ0.94
AE2AETIOCHOLANOLONEA1OV40.94
ANO5-BETA-ANDROSTANE-3,17-DIONEH,L2O5Z0.74
ANO5-BETA-ANDROSTANE-3,17-DIONEH1DBK0.74
AON5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-
DIOL		A1LHN0.81
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.84
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.84
TESTESTOSTERONEA1JTV0.74
TESTESTOSTERONEA2Q7L0.74
TESTESTOSTERONEA2Q7I0.74
TESTESTOSTERONEA,B1J960.74
TESTESTOSTERONEA2Q7K0.74
TESTESTOSTERONEA,B1Q130.74
TESTESTOSTERONEH1I9J0.74
TESTESTOSTERONEA,B1AFS0.74
TESTESTOSTERONEH1VPO0.74
TESTESTOSTERONEA2Q7J0.74
TESTESTOSTERONEA,B3BUR0.74
TESTESTOSTERONEA2AM90.74
CAH5-EXO-HYDROXYCAMPHORA1NOO0.75
AOM5-ALPHA-ANDROSTANE-3-BETA,17BETA-
DIOL		A1LHO0.81
1CADESOXYCORTICOSTERONEA,B1Y9R0.71
1CADESOXYCORTICOSTERONEA,B,C2ABI0.71
1CADESOXYCORTICOSTERONEA2Q3Y0.71
1CADESOXYCORTICOSTERONEA2AA70.71
CI2(5BETA)-PREGNANE-3,20-DIONEA,C,D1XV90.73
CI2(5BETA)-PREGNANE-3,20-DIONEA,B3CAV0.73
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.74
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.74
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.74
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.74
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.74
ESRESTRADIOLA,B,C,D1OHP0.74
DHT5-ALPHA-DIHYDROTESTOSTERONEL2PIP0.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7M0.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I380.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T740.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7R0.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PKL0.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T630.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDK0.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA1DHT0.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIR0.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T760.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA2Z4J0.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T790.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIO0.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIV0.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA2QPY0.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA2AMA0.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T650.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIX0.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDM0.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7T0.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T5Z0.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIQ0.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIT0.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIU0.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIW0.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I370.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA1XJ70.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA1D2S0.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA1F5F0.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T730.94
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7F0.94
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.83
DEXDEXAMETHASONEA,D1M2Z0.72
DEXDEXAMETHASONEA,B,C,D1P930.72
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB10.86
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB30.86
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2BJF0.86
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB20.86
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1FM40.86
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2W1B0.86
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B1E3V0.86
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1OS60.86
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D3DTU0.86
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2OPX0.86
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.73
ZK59ALPHA-FLUOROCORTISOLA1GS40.74
5SD5ALPHA-ANDROSTAN-3,17-DIONEA1QYW0.74
5SD5ALPHA-ANDROSTAN-3,17-DIONEA,B,C1OHS0.74
C0RCORTICOSTERONEA2A3I0.7
C0RCORTICOSTERONEA,B1Y5R0.7
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A,B2VDY0.72
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A2V950.72
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPG0.74
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPJ0.74
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPF0.74