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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01788660

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0MAmaslinic acidA2QN20.7
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.71
ANO5-BETA-ANDROSTANE-3,17-DIONEH,L2O5Z0.73
ANO5-BETA-ANDROSTANE-3,17-DIONEH1DBK0.73
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
1CADESOXYCORTICOSTERONEA,B1Y9R0.7
1CADESOXYCORTICOSTERONEA,B,C2ABI0.7
1CADESOXYCORTICOSTERONEA2Q3Y0.7
1CADESOXYCORTICOSTERONEA2AA70.7
FUAFUSIDIC ACIDA1QCA0.7
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1Q230.7
FUAFUSIDIC ACIDA,B2VUF0.7
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1FMC0.71
CHOGLYCOCHENODEOXYCHOLIC ACIDA,B1AHI0.71
CHOGLYCOCHENODEOXYCHOLIC ACIDA2B040.71
JN3CHENODEOXYCHOLIC ACIDA2JN30.96
0ASasiatic acidA2QN10.7
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.96
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.96
GCHGLYCOCHOLIC ACIDA2B000.71
GCHGLYCOCHOLIC ACIDA1EIO0.71
AOM5-ALPHA-ANDROSTANE-3-BETA,17BETA-
DIOL		A1LHO0.85
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.72
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.72
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.72
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid		A3GYT0.72
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,B1BUQ0.7
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.89
DHT5-ALPHA-DIHYDROTESTOSTERONEL2PIP0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7M0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I380.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T740.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7R0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PKL0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T630.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDK0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1DHT0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIR0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T760.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA2Z4J0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T790.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIO0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIV0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA2QPY0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA2AMA0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T650.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIX0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1KDM0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7T0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T5Z0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIQ0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIT0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIU0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA2PIW0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1I370.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1XJ70.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1D2S0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1F5F0.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T730.92
DHT5-ALPHA-DIHYDROTESTOSTERONEA1T7F0.92
TESTESTOSTERONEA1JTV0.73
TESTESTOSTERONEA2Q7L0.73
TESTESTOSTERONEA2Q7I0.73
TESTESTOSTERONEA,B1J960.73
TESTESTOSTERONEA2Q7K0.73
TESTESTOSTERONEA,B1Q130.73
TESTESTOSTERONEH1I9J0.73
TESTESTOSTERONEA,B1AFS0.73
TESTESTOSTERONEH1VPO0.73
TESTESTOSTERONEA2Q7J0.73
TESTESTOSTERONEA,B3BUR0.73
TESTESTOSTERONEA2AM90.73
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid		A3GYU0.73
AON5-ALPHA-ANDROSTANE-3-BETA,17-ALPHA-
DIOL		A1LHN0.85
CAX(2S,4S)-4-(2,2-DIHYDROXYETHYL)-
2,3,3-TRIMETHYLCYCLOPENTANONE		A,B,C,D,E,F,
G,H,I,J,K,L		1SZO0.71
ESRESTRADIOLA,B,C,D1OHP0.73
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.73
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.73
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.73
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.73
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.73
CI2(5BETA)-PREGNANE-3,20-DIONEA,C,D1XV90.74
CI2(5BETA)-PREGNANE-3,20-DIONEA,B3CAV0.74
CAH5-EXO-HYDROXYCAMPHORA1NOO0.73
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.7
2OBCHOLESTERYL OLEATEA2OBD0.7
F24(3R,5S,7R,12S,13R)-13-FORMYL-12,14-
DIHYDROXY-3,5,7-TRIMETHYLTETRADECANOIC ACID		A2F9A0.7
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.74
CLLCHOLESTERYL LINOLEATEA,B1CLE0.7
5SD5ALPHA-ANDROSTAN-3,17-DIONEA1QYW0.73
5SD5ALPHA-ANDROSTAN-3,17-DIONEA,B,C1OHS0.73
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPG0.73
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPJ0.73
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPF0.73
BDT5-beta-DIHYDROTESTOSTERONEA,B3DOP0.92
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB10.98
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB30.98
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2BJF0.98
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB20.98
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1FM40.98
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2W1B0.98
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B1E3V0.98
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1OS60.98
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D3DTU0.98
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2OPX0.98
AE2AETIOCHOLANOLONEA2QP40.92
AE2AETIOCHOLANOLONEA,B1YB10.92
AE2AETIOCHOLANOLONEA2QP30.92
AE2AETIOCHOLANOLONEA,B1X8J0.92
AE2AETIOCHOLANOLONEA,B,C,D1NFQ0.92
AE2AETIOCHOLANOLONEH1DBJ0.92
AE2AETIOCHOLANOLONEA1OV40.92