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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03462751

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPG0.81
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPJ0.81
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE		A,B2IPF0.81
1CADESOXYCORTICOSTERONEA,B1Y9R0.78
1CADESOXYCORTICOSTERONEA,B,C2ABI0.78
1CADESOXYCORTICOSTERONEA2Q3Y0.78
1CADESOXYCORTICOSTERONEA2AA70.78
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		A,D1R1K0.8
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,U1Z5X0.8
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,F,G,H2NXX0.8
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one		A,B1SQN0.73
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one		A,B2W8Y0.73
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,B1BUQ0.73
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid		A3GYT0.74
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,C1YA80.75
SIMSIMVASTATINA,B,C,D1HW90.74
1642-(3-CARBOXYPROPIONYL)-6-HYDROXY-
CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID		A1R6W0.72
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE		A1LHV0.73
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE		A,B3D900.73
803LOVASTATINA,B1CQP0.74
0MAmaslinic acidA2QN20.72
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
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		A1M130.71
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE		A2AMB0.77
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
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.72
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.72
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.72
114COMPACTINA,B,C,D1HW80.72
AS4ALDOSTERONEA2AA20.77
AS4ALDOSTERONEA2Q1H0.77
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,B1M980.77
C0RCORTICOSTERONEA2A3I0.81
C0RCORTICOSTERONEA,B1Y5R0.81
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.79
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.79
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.79
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.79
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.79
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid		A3GYU0.73
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1E3G0.77
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A,B1E3K0.77
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A2AO60.77
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1XOW0.77
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE		A1XQ30.77
CDZ3,5-dihydroxy-4,6,6-tris(3-methylbut-
2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-
2,4-dien-1-one		A2QNV0.76
HCR7-HYDROXYCHOLESTEROLA1ZHT0.72
ZK59ALPHA-FLUOROCORTISOLA1GS40.77
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one		A,D2R400.8
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.78
TESTESTOSTERONEA1JTV0.81
TESTESTOSTERONEA2Q7L0.81
TESTESTOSTERONEA2Q7I0.81
TESTESTOSTERONEA,B1J960.81
TESTESTOSTERONEA2Q7K0.81
TESTESTOSTERONEA,B1Q130.81
TESTESTOSTERONEH1I9J0.81
TESTESTOSTERONEA,B1AFS0.81
TESTESTOSTERONEH1VPO0.81
TESTESTOSTERONEA2Q7J0.81
TESTESTOSTERONEA,B3BUR0.81
TESTESTOSTERONEA2AM90.81
OXR4-OXORETINOLA,B1X8L0.76
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.77
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		1RWT0.73
CBOCARBENOXOLONEA,B,C,D1HDC0.71
CBOCARBENOXOLONEA,B,C,D2BEL0.71
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,C2BHW0.75
0ASasiatic acidA2QN10.71
DEXDEXAMETHASONEA,D1M2Z0.77
DEXDEXAMETHASONEA,B,C,D1P930.77
AXTASTAXANTHINA,B1GKA0.74
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
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.74
8PG(8S,12S)-15S-HYDROXY-9-OXOPROSTA-
10Z,13E-DIEN-1-OIC ACID		A,B2G5W0.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EAU0.78
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EB30.78
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A3EB40.78
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A,B2AAX0.78
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A1H610.78
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A,B3CMF0.78
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE		A2Q1V0.78