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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00465115

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,B1BUQ0.74
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.73
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.73
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.73
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.81
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.81
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.81
STRPROGESTERONEA1H600.91
STRPROGESTERONEA,B,C1YA30.91
STRPROGESTERONEA,B2AA60.91
STRPROGESTERONEA1MRQ0.91
STRPROGESTERONEA,B1A280.91
STRPROGESTERONEA,B2AA50.91
STRPROGESTERONEA2HZQ0.91
STRPROGESTERONEA1W0F0.91
STRPROGESTERONEA2ABA0.91
STRPROGESTERONEA,B3COT0.91
STRPROGESTERONEH1DBB0.91
STRPROGESTERONEH,L2O5Y0.91
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.76
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.78
AS4ALDOSTERONEA2AA20.77
AS4ALDOSTERONEA2Q1H0.77
DEXDEXAMETHASONEA,D1M2Z0.71
DEXDEXAMETHASONEA,B,C,D1P930.71
2OBCHOLESTERYL OLEATEA2OBD0.72
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.89
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.72
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.73
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.73
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.73
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.73
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.73
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.73
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.73
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.74
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.74
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.74
TESTESTOSTERONEA1JTV0.81
TESTESTOSTERONEA2Q7L0.81
TESTESTOSTERONEA2Q7I0.81
TESTESTOSTERONEA,B1J960.81
TESTESTOSTERONEA2Q7K0.81
TESTESTOSTERONEA,B1Q130.81
TESTESTOSTERONEH1I9J0.81
TESTESTOSTERONEA,B1AFS0.81
TESTESTOSTERONEH1VPO0.81
TESTESTOSTERONEA2Q7J0.81
TESTESTOSTERONEA,B3BUR0.81
TESTESTOSTERONEA2AM90.81
1CADESOXYCORTICOSTERONEA,B1Y9R0.8
1CADESOXYCORTICOSTERONEA,B,C2ABI0.8
1CADESOXYCORTICOSTERONEA2Q3Y0.8
1CADESOXYCORTICOSTERONEA2AA70.8
ZK59ALPHA-FLUOROCORTISOLA1GS40.73
C0RCORTICOSTERONEA2A3I0.77
C0RCORTICOSTERONEA,B1Y5R0.77
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.77
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.77
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.77
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.77
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.77
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.91
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.91
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.91
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.91
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.91
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.91
ASD4-ANDROSTENE-3-17-DIONEA1XF00.91
CLLCHOLESTERYL LINOLEATEA,B1CLE0.72
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.76
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.76
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.76
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.76