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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01797484

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SO1A1U2R0.7
SO1A1N0U0.7
SO1T2P8Y0.7
SO1T2P8Z0.7
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE
A,B2IVD0.7
TWN(3S)-3-[(2S,3S,4R)-3,4-DIMETHYLTETRAHYDROFURAN-
2-YL]BUTYL LAURATE
A,B2IVE0.7
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
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.96
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.96
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
FUAFUSIDIC ACIDA1QCA0.72
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.72
FUAFUSIDIC ACIDA,B2VUF0.72
5SD5ALPHA-ANDROSTAN-3,17-DIONEA1QYW0.71
5SD5ALPHA-ANDROSTAN-3,17-DIONEA,B,C1OHS0.71
NTHSUCCINIC ACID MONO-(13-METHYL-3-
OXO-2,3,6,7,8,9,10,11,12,13,14,15,16,17-
TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-
17-YL) ESTER
A,B1BUQ0.73
AON5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-
DIOL
A1LHN0.82
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.74
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.74
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.74
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1FMC0.71
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1AHI0.71
CHOGLYCOCHENODEOXYCHOLIC ACIDA2B040.71
2OBCHOLESTERYL OLEATEA2OBD0.71
JN3CHENODEOXYCHOLIC ACIDA2JN30.96
F24(3R,5S,7R,12S,13R)-13-FORMYL-12,14-
DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID
A2F9A0.71
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.92
0ASasiatic acidA2QN10.7
CLLCHOLESTERYL LINOLEATEA,B1CLE0.71
CAH5-EXO-HYDROXYCAMPHORA1NOO0.71
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.96
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.96
GCHGLYCOCHOLIC ACIDA2B000.71
GCHGLYCOCHOLIC ACIDA1EIO0.71
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.71
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
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.7
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.9
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.72
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.72
TESTESTOSTERONEA1JTV0.71
TESTESTOSTERONEA2Q7L0.71
TESTESTOSTERONEA2Q7I0.71
TESTESTOSTERONEA,B1J960.71
TESTESTOSTERONEA2Q7K0.71
TESTESTOSTERONEA,B1Q130.71
TESTESTOSTERONEH1I9J0.71
TESTESTOSTERONEA,B1AFS0.71
TESTESTOSTERONEH1VPO0.71
TESTESTOSTERONEA2Q7J0.71
TESTESTOSTERONEA,B3BUR0.71
TESTESTOSTERONEA2AM90.71
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