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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00461403

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.76
CLRCHOLESTEROLA,B2ZXE0.73
CLRCHOLESTEROLA1N830.73
CLRCHOLESTEROLA2RH10.73
CLRCHOLESTEROLA1LRI0.73
CLRCHOLESTEROLA1ZHY0.73
CLRCHOLESTEROLA3D4S0.73
LANLANOSTEROLA1W6K0.71
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.8
HCR7-HYDROXYCHOLESTEROLA1ZHT0.71
VD25-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-2-METHYL-
CYCLOHEXANE-1,3-DIOL
A1RKH0.7
AS4ALDOSTERONEA2AA20.84
AS4ALDOSTERONEA2Q1H0.84
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.82
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.82
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.82
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.82
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.82
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.82
ASD4-ANDROSTENE-3-17-DIONEA1XF00.82
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.87
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.87
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.87
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.87
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.87
SNLSPIRONOLACTONEA,B2AB20.73
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.73
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.77
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,B1J780.73
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL
A,D1MZ90.73
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.87
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.87
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
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.83
1CADESOXYCORTICOSTERONEA,B1Y9R0.93
1CADESOXYCORTICOSTERONEA,B,C2ABI0.93
1CADESOXYCORTICOSTERONEA2Q3Y0.93
1CADESOXYCORTICOSTERONEA2AA70.93
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.81
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.81
C0RCORTICOSTERONEA2A3I0.88
C0RCORTICOSTERONEA,B1Y5R0.88
CBOCARBENOXOLONEA,B,C,D1HDC0.72
CBOCARBENOXOLONEA,B,C,D2BEL0.72
TESTESTOSTERONEA1JTV0.89
TESTESTOSTERONEA2Q7L0.89
TESTESTOSTERONEA2Q7I0.89
TESTESTOSTERONEA,B1J960.89
TESTESTOSTERONEA2Q7K0.89
TESTESTOSTERONEA,B1Q130.89
TESTESTOSTERONEH1I9J0.89
TESTESTOSTERONEA,B1AFS0.89
TESTESTOSTERONEH1VPO0.89
TESTESTOSTERONEA2Q7J0.89
TESTESTOSTERONEA,B3BUR0.89
TESTESTOSTERONEA2AM90.89
CA4CYPROTERONE ACETATEA2OZ70.76
ERGERGOSTEROLA1BXM0.74
ERGERGOSTEROLA1ZHZ0.74
ERGERGOSTEROLA,B2AIB0.74
DEXDEXAMETHASONEA,D1M2Z0.84
DEXDEXAMETHASONEA,B,C,D1P930.84
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.8
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.8
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.8
CLLCHOLESTERYL LINOLEATEA,B1CLE0.73
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.84
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.84
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.84
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.84
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.84
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.9
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.9
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.78
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.84
CO117-[3-(3,3-DIMETHYL-OXIRANYL)-1-
METHYL-PROPYL]-10,13-DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-
TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-
3-OL
A,B1P8D0.72
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.9
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.9
HYF4-HYDROXY-5-ISOBUTYRYL-6-METHYL-
1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)-
6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON-
3-ENE-2,9-DIONE
A1M130.7
ZK59ALPHA-FLUOROCORTISOLA1GS40.85
HC220-HYDROXYCHOLESTEROLA1ZHW0.75
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.88
HC325-HYDROXYCHOLESTEROLA1ZHX0.75
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.89
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.89
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.89
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
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.77
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.77
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.77
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.87
STRPROGESTERONEA1H600.82
STRPROGESTERONEA,B,C1YA30.82
STRPROGESTERONEA,B2AA60.82
STRPROGESTERONEA1MRQ0.82
STRPROGESTERONEA,B1A280.82
STRPROGESTERONEA,B2AA50.82
STRPROGESTERONEA2HZQ0.82
STRPROGESTERONEA1W0F0.82
STRPROGESTERONEA2ABA0.82
STRPROGESTERONEA,B3COT0.82
STRPROGESTERONEH1DBB0.82
STRPROGESTERONEH,L2O5Y0.82
2OBCHOLESTERYL OLEATEA2OBD0.73
VTQRRR-ALPHA-TOCOPHERYLQUINONEA,C,E1OLM0.7