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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02416357

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CBOCARBENOXOLONEA,B,C,D1HDC0.75
CBOCARBENOXOLONEA,B,C,D2BEL0.75
JN3CHENODEOXYCHOLIC ACIDA2JN30.75
FUAFUSIDIC ACIDA1QCA0.7
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1Q230.7
FUAFUSIDIC ACIDA,B2VUF0.7
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid		A3GYT0.74
2OBCHOLESTERYL OLEATEA2OBD0.71
CHDCHOLIC ACIDA,B2PNJ0.75
CHDCHOLIC ACIDA,B1HRK0.75
CHDCHOLIC ACIDA,B2PO70.75
CHDCHOLIC ACIDA2QO60.75
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,M,N,O,P,
Q,S,T,V,W,Z		1V550.75
CHDCHOLIC ACIDA2AZY0.75
CHDCHOLIC ACIDA,B,C2DQY0.75
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Y,Z		2EIN0.75
CHDCHOLIC ACIDA,B,C,F,G,I,
J,L,M,N,O,P,
S,T,V,W,Z		2EIJ0.75
CHDCHOLIC ACIDA,B,C,D2QD10.75
CHDCHOLIC ACIDA2FT90.75
CHDCHOLIC ACIDA,B2HRC0.75
CHDCHOLIC ACIDA,B1TW40.75
CHDCHOLIC ACIDA,B2QD30.75
CHDCHOLIC ACIDA,B,C,D,E,F,
G,I,J,L,M,N,
O,P,Q,S,T,V,
W,Z		1V540.75
CHDCHOLIC ACIDA2RLC0.75
CHDCHOLIC ACIDA,B1ON50.75
CHDCHOLIC ACIDA,B,C,D,F,G,
J,L,M,N,O,P,
S,T,W,Z		2ZXW0.75
CHDCHOLIC ACIDA,B2QD40.75
CHDCHOLIC ACIDA2QO50.75
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2DYS0.75
CHDCHOLIC ACIDA,B2QD20.75
CHDCHOLIC ACIDA,B,C3ELZ0.75
CHDCHOLIC ACIDA,B2PO50.75
CHDCHOLIC ACIDA,B1S9Q0.75
CHDCHOLIC ACIDA,B1EE20.75
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2DYR0.75
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,S,T,V,W,Z		2EIM0.75
CHDCHOLIC ACIDA,B,C,D2HRE0.75
CHDCHOLIC ACIDA,B2QD50.75
CHDCHOLIC ACIDA,B3EM00.75
CHDCHOLIC ACIDA,B,C,D,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,Z		2EIL0.75
CHDCHOLIC ACIDA2QO40.75
CHDCHOLIC ACIDA,B,C,E,F,G,
I,J,L,M,N,O,
P,Q,S,T,V,W,
Y,Z		2EIK0.75
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,B1BUQ0.75
IU5ISO-URSODEOXYCHOLIC ACIDA,B1IHI0.75
IU5ISO-URSODEOXYCHOLIC ACIDA,B1OT70.75
1CADESOXYCORTICOSTERONEA,B1Y9R0.73
1CADESOXYCORTICOSTERONEA,B,C2ABI0.73
1CADESOXYCORTICOSTERONEA2Q3Y0.73
1CADESOXYCORTICOSTERONEA2AA70.73
CLLCHOLESTERYL LINOLEATEA,B1CLE0.71
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A,B2VDY0.71
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A2V950.71
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.8
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OT70.75
CHC6-ETHYL-CHENODEOXYCHOLIC ACIDA,B1OSV0.75
C0RCORTICOSTERONEA2A3I0.71
C0RCORTICOSTERONEA,B1Y5R0.71
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.73
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
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
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid		A3GYU0.75
0MAmaslinic acidA2QN20.79
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.74
SIMSIMVASTATINA,B,C,D1HW90.71
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.76
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.76
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.76
0ASasiatic acidA2QN10.81
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
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.74
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB10.77
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB30.77
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2BJF0.77
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D1WB20.77
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1FM40.77
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2W1B0.77
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B1E3V0.77
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A1OS60.77
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A,B,C,D3DTU0.77
DXC(3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-
24-OIC ACID		A2OPX0.77