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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01877564

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.8
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.74
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.84
STRPROGESTERONEA1H601
STRPROGESTERONEA,B,C1YA31
STRPROGESTERONEA,B2AA61
STRPROGESTERONEA1MRQ1
STRPROGESTERONEA,B1A281
STRPROGESTERONEA,B2AA51
STRPROGESTERONEA2HZQ1
STRPROGESTERONEA1W0F1
STRPROGESTERONEA2ABA1
STRPROGESTERONEA,B3COT1
STRPROGESTERONEH1DBB1
STRPROGESTERONEH,L2O5Y1
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.74
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.74
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.74
AS4ALDOSTERONEA2AA20.74
AS4ALDOSTERONEA2Q1H0.74
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
ANO5-BETA-ANDROSTANE-3,17-DIONEH,L2O5Z0.74
ANO5-BETA-ANDROSTANE-3,17-DIONEH1DBK0.74
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.83
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.83
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.83
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.82
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.82
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.74
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.82
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.82
CLLCHOLESTERYL LINOLEATEA,B1CLE0.73
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.75
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.75
CI2(5BETA)-PREGNANE-3,20-DIONEA,C,D1XV90.73
CI2(5BETA)-PREGNANE-3,20-DIONEA,B3CAV0.73
ESRESTRADIOLA,B,C,D1OHP0.74
DEXDEXAMETHASONEA,D1M2Z0.72
DEXDEXAMETHASONEA,B,C,D1P930.72
TESTESTOSTERONEA1JTV0.83
TESTESTOSTERONEA2Q7L0.83
TESTESTOSTERONEA2Q7I0.83
TESTESTOSTERONEA,B1J960.83
TESTESTOSTERONEA2Q7K0.83
TESTESTOSTERONEA,B1Q130.83
TESTESTOSTERONEH1I9J0.83
TESTESTOSTERONEA,B1AFS0.83
TESTESTOSTERONEH1VPO0.83
TESTESTOSTERONEA2Q7J0.83
TESTESTOSTERONEA,B3BUR0.83
TESTESTOSTERONEA2AM90.83
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.97
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.74
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.74
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.74
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.74
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.74
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.78
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.78
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.78
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.78
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.78
1CADESOXYCORTICOSTERONEA,B1Y9R0.82
1CADESOXYCORTICOSTERONEA,B,C2ABI0.82
1CADESOXYCORTICOSTERONEA2Q3Y0.82
1CADESOXYCORTICOSTERONEA2AA70.82
ZK59ALPHA-FLUOROCORTISOLA1GS40.74
5SD5ALPHA-ANDROSTAN-3,17-DIONEA1QYW0.74
5SD5ALPHA-ANDROSTAN-3,17-DIONEA,B,C1OHS0.74
C0RCORTICOSTERONEA2A3I0.78
C0RCORTICOSTERONEA,B1Y5R0.78
SNLSPIRONOLACTONEA,B2AB20.71
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.71
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS1
ASD4-ANDROSTENE-3-17-DIONEA1QYX1
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT1
ASD4-ANDROSTENE-3-17-DIONEA1EUP1
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV1
ASD4-ANDROSTENE-3-17-DIONEA3EQM1
ASD4-ANDROSTENE-3-17-DIONEA1XF01
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.73
2OBCHOLESTERYL OLEATEA2OBD0.73