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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02437409

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.87
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.84
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.84
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.84
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.74
CLLCHOLESTERYL LINOLEATEA,B1CLE0.83
CBOCARBENOXOLONEA,B,C,D1HDC0.93
CBOCARBENOXOLONEA,B,C,D2BEL0.93
SNLSPIRONOLACTONEA,B2AB20.73
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.73
2OBCHOLESTERYL OLEATEA2OBD0.83
0ASasiatic acidA2QN10.86
AS4ALDOSTERONEA2AA20.7
AS4ALDOSTERONEA2Q1H0.7
TESTESTOSTERONEA1JTV0.74
TESTESTOSTERONEA2Q7L0.74
TESTESTOSTERONEA2Q7I0.74
TESTESTOSTERONEA,B1J960.74
TESTESTOSTERONEA2Q7K0.74
TESTESTOSTERONEA,B1Q130.74
TESTESTOSTERONEH1I9J0.74
TESTESTOSTERONEA,B1AFS0.74
TESTESTOSTERONEH1VPO0.74
TESTESTOSTERONEA2Q7J0.74
TESTESTOSTERONEA,B3BUR0.74
TESTESTOSTERONEA2AM90.74
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
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.82
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
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.73
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.73
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.73
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.73
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.73
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,B1BUQ0.82
1CADESOXYCORTICOSTERONEA,B1Y9R0.71
1CADESOXYCORTICOSTERONEA,B,C2ABI0.71
1CADESOXYCORTICOSTERONEA2Q3Y0.71
1CADESOXYCORTICOSTERONEA2AA70.71
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.75
FUAFUSIDIC ACIDA1QCA0.71
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.71
FUAFUSIDIC ACIDA,B2VUF0.71
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.71
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.74
SIMSIMVASTATINA,B,C,D1HW90.71
C0RCORTICOSTERONEA2A3I0.72
C0RCORTICOSTERONEA,B1Y5R0.72
803LOVASTATINA,B1CQP0.71
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.74
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.74
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.74
0MAmaslinic acidA2QN20.82