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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03166964

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.74
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,D1AWH0.7
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.71
2OBCHOLESTERYL OLEATEA2OBD0.71
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.88
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.88
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.88
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.88
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.88
STRPROGESTERONEA1H600.77
STRPROGESTERONEA,B,C1YA30.77
STRPROGESTERONEA,B2AA60.77
STRPROGESTERONEA1MRQ0.77
STRPROGESTERONEA,B1A280.77
STRPROGESTERONEA,B2AA50.77
STRPROGESTERONEA2HZQ0.77
STRPROGESTERONEA1W0F0.77
STRPROGESTERONEA2ABA0.77
STRPROGESTERONEA,B3COT0.77
STRPROGESTERONEH1DBB0.77
STRPROGESTERONEH,L2O5Y0.77
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.81
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.81
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.81
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.81
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.81
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.81
CLLCHOLESTERYL LINOLEATEA,B1CLE0.71
C0RCORTICOSTERONEA2A3I0.79
C0RCORTICOSTERONEA,B1Y5R0.79
TESTESTOSTERONEA1JTV0.84
TESTESTOSTERONEA2Q7L0.84
TESTESTOSTERONEA2Q7I0.84
TESTESTOSTERONEA,B1J960.84
TESTESTOSTERONEA2Q7K0.84
TESTESTOSTERONEA,B1Q130.84
TESTESTOSTERONEH1I9J0.84
TESTESTOSTERONEA,B1AFS0.84
TESTESTOSTERONEH1VPO0.84
TESTESTOSTERONEA2Q7J0.84
TESTESTOSTERONEA,B3BUR0.84
TESTESTOSTERONEA2AM90.84
CA4CYPROTERONE ACETATEA2OZ70.73
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.8
ERGERGOSTEROLA1BXM0.71
ERGERGOSTEROLA1ZHZ0.71
ERGERGOSTEROLA,B2AIB0.71
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.75
ZK59ALPHA-FLUOROCORTISOLA1GS40.77
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.82
HC325-HYDROXYCHOLESTEROLA1ZHX0.72
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.74
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.74
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.74
DEXDEXAMETHASONEA,D1M2Z0.75
DEXDEXAMETHASONEA,B,C,D1P930.75
HC220-HYDROXYCHOLESTEROLA1ZHW0.72
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.94
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.94
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.77
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.94
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.94
AS4ALDOSTERONEA2AA20.76
AS4ALDOSTERONEA2Q1H0.76
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.78
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.78
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.76
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.76
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.76
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.74
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.77
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.77
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.77
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.77
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.77
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.77
ASD4-ANDROSTENE-3-17-DIONEA1XF00.77
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,B1BUQ0.76
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.88
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.84
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.84
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.84
1CADESOXYCORTICOSTERONEA,B1Y9R0.83
1CADESOXYCORTICOSTERONEA,B,C2ABI0.83
1CADESOXYCORTICOSTERONEA2Q3Y0.83
1CADESOXYCORTICOSTERONEA2AA70.83