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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03210856

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.76
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.76
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.76
SNLSPIRONOLACTONEA,B2AB20.92
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.92
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.71
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.71
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.71
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.71
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.71
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.71
CA4CYPROTERONE ACETATEA2OZ70.72
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.77
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.77
STRPROGESTERONEA1H600.75
STRPROGESTERONEA,B,C1YA30.75
STRPROGESTERONEA,B2AA60.75
STRPROGESTERONEA1MRQ0.75
STRPROGESTERONEA,B1A280.75
STRPROGESTERONEA,B2AA50.75
STRPROGESTERONEA2HZQ0.75
STRPROGESTERONEA1W0F0.75
STRPROGESTERONEA2ABA0.75
STRPROGESTERONEA,B3COT0.75
STRPROGESTERONEH1DBB0.75
STRPROGESTERONEH,L2O5Y0.75
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.77
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.77
1CADESOXYCORTICOSTERONEA,B1Y9R0.75
1CADESOXYCORTICOSTERONEA,B,C2ABI0.75
1CADESOXYCORTICOSTERONEA2Q3Y0.75
1CADESOXYCORTICOSTERONEA2AA70.75
GR33-ACETOXY-17-(1-FORMYL-5-METHYL-
3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14-
TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-
TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-
4-CARBOXYLIC ACID
B,D1AWH0.73
CBOCARBENOXOLONEA,B,C,D1HDC0.72
CBOCARBENOXOLONEA,B,C,D2BEL0.72
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.75
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.75
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.75
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.75
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.75
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.75
ASD4-ANDROSTENE-3-17-DIONEA1XF00.75
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.7
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.8
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.8
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.8
2OBCHOLESTERYL OLEATEA2OBD0.77
ZK59ALPHA-FLUOROCORTISOLA1GS40.7
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.78
TESTESTOSTERONEA1JTV0.76
TESTESTOSTERONEA2Q7L0.76
TESTESTOSTERONEA2Q7I0.76
TESTESTOSTERONEA,B1J960.76
TESTESTOSTERONEA2Q7K0.76
TESTESTOSTERONEA,B1Q130.76
TESTESTOSTERONEH1I9J0.76
TESTESTOSTERONEA,B1AFS0.76
TESTESTOSTERONEH1VPO0.76
TESTESTOSTERONEA2Q7J0.76
TESTESTOSTERONEA,B3BUR0.76
TESTESTOSTERONEA2AM90.76
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.74
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.72
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.72
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.72
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.72
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.72
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.72
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.72
C0RCORTICOSTERONEA2A3I0.72
C0RCORTICOSTERONEA,B1Y5R0.72
AS4ALDOSTERONEA2AA20.71
AS4ALDOSTERONEA2Q1H0.71
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.78
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.72
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.72
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.72
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.72
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.72
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.71
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
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,B1BUQ0.81
CLLCHOLESTERYL LINOLEATEA,B1CLE0.77