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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02426687

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
OPD9R,13R-12-OXOPHYTODIENOIC ACIDA,B1ICQ0.71
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.74
CBOCARBENOXOLONEA,B,C,D1HDC0.75
CBOCARBENOXOLONEA,B,C,D2BEL0.75
AXTASTAXANTHINA,B1GKA0.79
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.81
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.84
TESTESTOSTERONEA1JTV0.86
TESTESTOSTERONEA2Q7L0.86
TESTESTOSTERONEA2Q7I0.86
TESTESTOSTERONEA,B1J960.86
TESTESTOSTERONEA2Q7K0.86
TESTESTOSTERONEA,B1Q130.86
TESTESTOSTERONEH1I9J0.86
TESTESTOSTERONEA,B1AFS0.86
TESTESTOSTERONEH1VPO0.86
TESTESTOSTERONEA2Q7J0.86
TESTESTOSTERONEA,B3BUR0.86
TESTESTOSTERONEA2AM90.86
MVB(1S,7S,8S,8AR)-1,2,3,7,8,8A-HEXAHYDRO-
7-METHYL-8-[2-[(2R,4R)-TETRAHYDRO-
4-HY DROXY-6-OXO-2H-PYRAN-2-YL]ETHYL]-
1-NAPHTHALENOL
A,B,C1YA80.75
SIMSIMVASTATINA,B,C,D1HW90.74
803LOVASTATINA,B1CQP0.74
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,D1AWH0.72
0ASasiatic acidA2QN10.74
1CADESOXYCORTICOSTERONEA,B1Y9R0.85
1CADESOXYCORTICOSTERONEA,B,C2ABI0.85
1CADESOXYCORTICOSTERONEA2Q3Y0.85
1CADESOXYCORTICOSTERONEA2AA70.85
AS4ALDOSTERONEA2AA20.78
AS4ALDOSTERONEA2Q1H0.78
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.83
LVA(3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-
DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-
1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-
1-YL)-3,5-DIHYDROXYHEPTANOIC ACID
A,B1T020.72
LUT(3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-
BETA,BETA-CAROTENE-3,3'-DIOL
A,B,C,D,E,F,
G,H,I,J
1RWT0.71
114COMPACTINA,B,C,D1HW80.72
CDZ3,5-dihydroxy-4,6,6-tris(3-methylbut-
2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-
2,4-dien-1-one
A2QNV0.74
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.79
C0RCORTICOSTERONEA2A3I0.81
C0RCORTICOSTERONEA,B1Y5R0.81
CLRCHOLESTEROLA,B2ZXE0.72
CLRCHOLESTEROLA1N830.72
CLRCHOLESTEROLA2RH10.72
CLRCHOLESTEROLA1LRI0.72
CLRCHOLESTEROLA1ZHY0.72
CLRCHOLESTEROLA3D4S0.72
STRPROGESTERONEA1H600.74
STRPROGESTERONEA,B,C1YA30.74
STRPROGESTERONEA,B2AA60.74
STRPROGESTERONEA1MRQ0.74
STRPROGESTERONEA,B1A280.74
STRPROGESTERONEA,B2AA50.74
STRPROGESTERONEA2HZQ0.74
STRPROGESTERONEA1W0F0.74
STRPROGESTERONEA2ABA0.74
STRPROGESTERONEA,B3COT0.74
STRPROGESTERONEH1DBB0.74
STRPROGESTERONEH,L2O5Y0.74
VTQRRR-ALPHA-TOCOPHERYLQUINONEA,C,E1OLM0.71
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.86
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.86
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.86
0MAmaslinic acidA2QN20.76
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.8
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.73
ZK59ALPHA-FLUOROCORTISOLA1GS40.77
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
ERGERGOSTEROLA1BXM0.73
ERGERGOSTEROLA1ZHZ0.73
ERGERGOSTEROLA,B2AIB0.73
HC325-HYDROXYCHOLESTEROLA1ZHX0.72
HCR7-HYDROXYCHOLESTEROLA1ZHT0.7
2OBCHOLESTERYL OLEATEA2OBD0.7
HEQ3-[18-(4-HYDROXY-2,6,6-TRIMETHYL-
CYCLOHEX-1-ENYL)-3,7,12,16-TETRAMETHYL-
OCTADECA-1,3,5,7,9,11,13,15, 17-
NONAENYL]-2,4,4-TRIMETHYL-CYCLOHEX-
2-ENONE
A,B1M980.82
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.74
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.74
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.74
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.74
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.74
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.74
ASD4-ANDROSTENE-3-17-DIONEA1XF00.74
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
OXR4-OXORETINOLA,B1X8L0.76
DEXDEXAMETHASONEA,D1M2Z0.75
DEXDEXAMETHASONEA,B,C,D1P930.75
HC220-HYDROXYCHOLESTEROLA1ZHW0.72
CLLCHOLESTERYL LINOLEATEA,B1CLE0.7
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
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.79
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.79
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.84
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.84
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.84
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.84
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.84
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
LUX(3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'-
DIDEHYDRO-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-
OCTADECAHYDRO-BETA,BETA-CAROTENE-
3,3'-DIOL
A,B,C2BHW0.73
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.76
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.76
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.76
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.74
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.79
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.79
LANLANOSTEROLA1W6K0.74
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
A1M130.75
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