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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02453318

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0MAmaslinic acidA2QN20.78
CBOCARBENOXOLONEA,B,C,D1HDC0.75
CBOCARBENOXOLONEA,B,C,D2BEL0.75
FUAFUSIDIC ACIDA1QCA0.72
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.72
FUAFUSIDIC ACIDA,B2VUF0.72
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.73
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.73
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.73
0ASasiatic acidA2QN10.74
1CADESOXYCORTICOSTERONEA,B1Y9R0.73
1CADESOXYCORTICOSTERONEA,B,C2ABI0.73
1CADESOXYCORTICOSTERONEA2Q3Y0.73
1CADESOXYCORTICOSTERONEA2AA70.73
CA4CYPROTERONE ACETATEA2OZ70.75
AS4ALDOSTERONEA2AA20.7
AS4ALDOSTERONEA2Q1H0.7
SNLSPIRONOLACTONEA,B2AB20.72
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.72
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
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,B1T020.78
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.77
114COMPACTINA,B,C,D1HW80.78
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.8
TESTESTOSTERONEA1JTV0.75
TESTESTOSTERONEA2Q7L0.75
TESTESTOSTERONEA2Q7I0.75
TESTESTOSTERONEA,B1J960.75
TESTESTOSTERONEA2Q7K0.75
TESTESTOSTERONEA,B1Q130.75
TESTESTOSTERONEH1I9J0.75
TESTESTOSTERONEA,B1AFS0.75
TESTESTOSTERONEH1VPO0.75
TESTESTOSTERONEA2Q7J0.75
TESTESTOSTERONEA,B3BUR0.75
TESTESTOSTERONEA2AM90.75
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.79
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.8
CLRCHOLESTEROLA,B2ZXE0.72
CLRCHOLESTEROLA1N830.72
CLRCHOLESTEROLA2RH10.72
CLRCHOLESTEROLA1LRI0.72
CLRCHOLESTEROLA1ZHY0.72
CLRCHOLESTEROLA3D4S0.72
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
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,D1AWH0.76
SIMSIMVASTATINA,B,C,D1HW90.8
803LOVASTATINA,B1CQP0.8
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
CLLCHOLESTERYL LINOLEATEA,B1CLE0.89
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,B1BUQ0.8
ERGERGOSTEROLA1BXM0.73
ERGERGOSTEROLA1ZHZ0.73
ERGERGOSTEROLA,B2AIB0.73
HC325-HYDROXYCHOLESTEROLA1ZHX0.72
HCR7-HYDROXYCHOLESTEROLA1ZHT0.7
HC220-HYDROXYCHOLESTEROLA1ZHW0.72
C0RCORTICOSTERONEA2A3I0.73
C0RCORTICOSTERONEA,B1Y5R0.73
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.75
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.75
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.75
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.81
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.81
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.81
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,B1P8D0.73
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.75
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,C1YA80.79
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.76
LANLANOSTEROLA1W6K0.74
2OBCHOLESTERYL OLEATEA2OBD0.89