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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03169518

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HC220-HYDROXYCHOLESTEROLA1ZHW0.71
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.8
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.76
0ASasiatic acidA2QN10.75
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.76
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.76
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.76
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.79
HC325-HYDROXYCHOLESTEROLA1ZHX0.71
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.76
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.76
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.76
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.76
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.76
0MAmaslinic acidA2QN20.77
2OBCHOLESTERYL OLEATEA2OBD0.88
SNLSPIRONOLACTONEA,B2AB20.73
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.73
1CADESOXYCORTICOSTERONEA,B1Y9R0.73
1CADESOXYCORTICOSTERONEA,B,C2ABI0.73
1CADESOXYCORTICOSTERONEA2Q3Y0.73
1CADESOXYCORTICOSTERONEA2AA70.73
CLLCHOLESTERYL LINOLEATEA,B1CLE0.88
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,B1T020.77
114COMPACTINA,B,C,D1HW80.77
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.77
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,C1YA80.78
FUAFUSIDIC ACIDA1QCA0.73
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.73
FUAFUSIDIC ACIDA,B2VUF0.73
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.8
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.72
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.72
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.72
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,D1AWH0.76
CA4CYPROTERONE ACETATEA2OZ70.76
C0RCORTICOSTERONEA2A3I0.74
C0RCORTICOSTERONEA,B1Y5R0.74
ZK59ALPHA-FLUOROCORTISOLA1GS40.7
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.82
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.82
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.82
TESTESTOSTERONEA1JTV0.76
TESTESTOSTERONEA2Q7L0.76
TESTESTOSTERONEA2Q7I0.76
TESTESTOSTERONEA,B1J960.76
TESTESTOSTERONEA2Q7K0.76
TESTESTOSTERONEA,B1Q130.76
TESTESTOSTERONEH1I9J0.76
TESTESTOSTERONEA,B1AFS0.76
TESTESTOSTERONEH1VPO0.76
TESTESTOSTERONEA2Q7J0.76
TESTESTOSTERONEA,B3BUR0.76
TESTESTOSTERONEA2AM90.76
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,B1P8D0.72
CLRCHOLESTEROLA,B2ZXE0.71
CLRCHOLESTEROLA1N830.71
CLRCHOLESTEROLA2RH10.71
CLRCHOLESTEROLA1LRI0.71
CLRCHOLESTEROLA1ZHY0.71
CLRCHOLESTEROLA3D4S0.71
CBOCARBENOXOLONEA,B,C,D1HDC0.76
CBOCARBENOXOLONEA,B,C,D2BEL0.76
ERGERGOSTEROLA1BXM0.72
ERGERGOSTEROLA1ZHZ0.72
ERGERGOSTEROLA,B2AIB0.72
AS4ALDOSTERONEA2AA20.71
AS4ALDOSTERONEA2Q1H0.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.78
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.78
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.78
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.78
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.78
LANLANOSTEROLA1W6K0.75
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.76
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.72
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.72
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,B1BUQ0.81
803LOVASTATINA,B1CQP0.79
SIMSIMVASTATINA,B,C,D1HW90.79