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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02422229

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,B1M980.75
2OBCHOLESTERYL OLEATEA2OBD0.79
CBOCARBENOXOLONEA,B,C,D1HDC0.75
CBOCARBENOXOLONEA,B,C,D2BEL0.75
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.81
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,B1P8D0.71
1CADESOXYCORTICOSTERONEA,B1Y9R0.77
1CADESOXYCORTICOSTERONEA,B,C2ABI0.77
1CADESOXYCORTICOSTERONEA2Q3Y0.77
1CADESOXYCORTICOSTERONEA2AA70.77
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.82
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.82
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.82
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.82
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.82
TESTESTOSTERONEA1JTV0.78
TESTESTOSTERONEA2Q7L0.78
TESTESTOSTERONEA2Q7I0.78
TESTESTOSTERONEA,B1J960.78
TESTESTOSTERONEA2Q7K0.78
TESTESTOSTERONEA,B1Q130.78
TESTESTOSTERONEH1I9J0.78
TESTESTOSTERONEA,B1AFS0.78
TESTESTOSTERONEH1VPO0.78
TESTESTOSTERONEA2Q7J0.78
TESTESTOSTERONEA,B3BUR0.78
TESTESTOSTERONEA2AM90.78
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL		A,B1J780.72
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL		A,D1MZ90.72
CLRCHOLESTEROLA,B2ZXE0.74
CLRCHOLESTEROLA1N830.74
CLRCHOLESTEROLA2RH10.74
CLRCHOLESTEROLA1LRI0.74
CLRCHOLESTEROLA1ZHY0.74
CLRCHOLESTEROLA3D4S0.74
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,B1BUQ0.75
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
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid		A3GYU0.81
0MAmaslinic acidA2QN20.85
AS4ALDOSTERONEA2AA20.7
AS4ALDOSTERONEA2Q1H0.7
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A,B2VDY0.71
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A2V950.71
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.83
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE		A2AMB0.78
CLLCHOLESTERYL LINOLEATEA,B1CLE0.79
ERGERGOSTEROLA1BXM0.76
ERGERGOSTEROLA1ZHZ0.76
ERGERGOSTEROLA,B2AIB0.76
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,B1T020.8
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPG0.78
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPJ0.78
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPF0.78
114COMPACTINA,B,C,D1HW80.8
0ASasiatic acidA2QN10.8
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1E3G0.78
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A,B1E3K0.78
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A2AO60.78
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1XOW0.78
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1XQ30.78
803LOVASTATINA,B1CQP0.83
SIMSIMVASTATINA,B,C,D1HW90.83
C0RCORTICOSTERONEA2A3I0.73
C0RCORTICOSTERONEA,B1Y5R0.73
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
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		1RWT0.72
HC325-HYDROXYCHOLESTEROLA1ZHX0.74
LANLANOSTEROLA1W6K0.74
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,C1YA80.81
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one		A,B1SQN0.71
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one		A,B2W8Y0.71
HCR7-HYDROXYCHOLESTEROLA1ZHT0.73
AXTASTAXANTHINA,B1GKA0.73
HC220-HYDROXYCHOLESTEROLA1ZHW0.74
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE		A1LHV0.71
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE		A,B3D900.71
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid		A3GYT0.79