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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02353382

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,B2IPG0.71
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
ANO5-BETA-ANDROSTANE-3,17-DIONEH,L2O5Z0.73
ANO5-BETA-ANDROSTANE-3,17-DIONEH1DBK0.73
1CADESOXYCORTICOSTERONEA,B1Y9R0.7
1CADESOXYCORTICOSTERONEA,B,C2ABI0.7
1CADESOXYCORTICOSTERONEA2Q3Y0.7
1CADESOXYCORTICOSTERONEA2AA70.7
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.74
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
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.83
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
STRPROGESTERONEA1H600.85
STRPROGESTERONEA,B,C1YA30.85
STRPROGESTERONEA,B2AA60.85
STRPROGESTERONEA1MRQ0.85
STRPROGESTERONEA,B1A280.85
STRPROGESTERONEA,B2AA50.85
STRPROGESTERONEA2HZQ0.85
STRPROGESTERONEA1W0F0.85
STRPROGESTERONEA2ABA0.85
STRPROGESTERONEA,B3COT0.85
STRPROGESTERONEH1DBB0.85
STRPROGESTERONEH,L2O5Y0.85
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.7
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.7
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.7
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.7
ESRESTRADIOLA,B,C,D1OHP0.73
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.72
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.85
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.85
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.85
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.85
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.85
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.85
ASD4-ANDROSTENE-3-17-DIONEA1XF00.85
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.75
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
CI2(5BETA)-PREGNANE-3,20-DIONEA,C,D1XV90.75
CI2(5BETA)-PREGNANE-3,20-DIONEA,B3CAV0.75
5SD5ALPHA-ANDROSTAN-3,17-DIONEA1QYW0.73
5SD5ALPHA-ANDROSTAN-3,17-DIONEA,B,C1OHS0.73
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.71