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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03854608

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
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
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,C1YA80.74
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID		A2ZB40.71
5OP(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-
5,13-DIEN-1-OIC ACID		A,B1V3V0.71
ZK59ALPHA-FLUOROCORTISOLA1GS40.76
ATE16,17-ANDROSTENE-3-OLA,B1XNX0.73
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EAU0.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EB30.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EB40.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A,B2AAX0.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A1H610.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A,B3CMF0.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A2Q1V0.8
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID		A,B2G5W0.71
SIMSIMVASTATINA,B,C,D1HW90.74
803LOVASTATINA,B1CQP0.74
AXTASTAXANTHINA,B1GKA0.76
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
C0RCORTICOSTERONEA2A3I0.8
C0RCORTICOSTERONEA,B1Y5R0.8
0ASasiatic acidA2QN10.7
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		A,D1R1K0.76
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,U1Z5X0.76
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,F,G,H2NXX0.76
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
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
114COMPACTINA,B,C,D1HW80.72
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.77
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.77
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.77
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,B1BUQ0.78
TESTESTOSTERONEA1JTV0.85
TESTESTOSTERONEA2Q7L0.85
TESTESTOSTERONEA2Q7I0.85
TESTESTOSTERONEA,B1J960.85
TESTESTOSTERONEA2Q7K0.85
TESTESTOSTERONEA,B1Q130.85
TESTESTOSTERONEH1I9J0.85
TESTESTOSTERONEA,B1AFS0.85
TESTESTOSTERONEH1VPO0.85
TESTESTOSTERONEA2Q7J0.85
TESTESTOSTERONEA,B3BUR0.85
TESTESTOSTERONEA2AM90.85
CBOCARBENOXOLONEA,B,C,D1HDC0.72
CBOCARBENOXOLONEA,B,C,D2BEL0.72
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.85
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.85
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.85
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.85
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.85
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,C2BHW0.7
0MAmaslinic acidA2QN20.76
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL		A,B1J780.71
VDY3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-
HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-
4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-
CYCLOHEXANOL		A,D1MZ90.71
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,B1P8D0.7
HCR7-HYDROXYCHOLESTEROLA1ZHT0.72
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid		A3GYU0.74
CLLCHOLESTERYL LINOLEATEA,B1CLE0.74
ERGERGOSTEROLA1BXM0.77
ERGERGOSTEROLA1ZHZ0.77
ERGERGOSTEROLA,B2AIB0.77
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.84
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPG0.85
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPJ0.85
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPF0.85
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
2OBCHOLESTERYL OLEATEA2OBD0.74
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid		A3GYT0.76
LANLANOSTEROLA1W6K0.75
1CADESOXYCORTICOSTERONEA,B1Y9R0.82
1CADESOXYCORTICOSTERONEA,B,C2ABI0.82
1CADESOXYCORTICOSTERONEA2Q3Y0.82
1CADESOXYCORTICOSTERONEA2AA70.82
HC325-HYDROXYCHOLESTEROLA1ZHX0.74
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,B1M980.79
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.75
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.72
DEXDEXAMETHASONEA,D1M2Z0.78
DEXDEXAMETHASONEA,B,C,D1P930.78
AS4ALDOSTERONEA2AA20.79
AS4ALDOSTERONEA2Q1H0.79
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
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE		A2AMB0.87
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one		A,D2R400.76
HC220-HYDROXYCHOLESTEROLA1ZHW0.74
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