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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00467580

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
0ASasiatic acidA2QN10.73
1CADESOXYCORTICOSTERONEA,B1Y9R0.78
1CADESOXYCORTICOSTERONEA,B,C2ABI0.78
1CADESOXYCORTICOSTERONEA2Q3Y0.78
1CADESOXYCORTICOSTERONEA2AA70.78
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.74
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.89
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.89
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.79
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.79
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.79
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.89
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.89
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.83
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.76
DOGDIGOXIGENINA1LKE0.71
CA4CYPROTERONE ACETATEA2OZ70.72
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.71
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
STRPROGESTERONEA1H600.73
STRPROGESTERONEA,B,C1YA30.73
STRPROGESTERONEA,B2AA60.73
STRPROGESTERONEA1MRQ0.73
STRPROGESTERONEA,B1A280.73
STRPROGESTERONEA,B2AA50.73
STRPROGESTERONEA2HZQ0.73
STRPROGESTERONEA1W0F0.73
STRPROGESTERONEA2ABA0.73
STRPROGESTERONEA,B3COT0.73
STRPROGESTERONEH1DBB0.73
STRPROGESTERONEH,L2O5Y0.73
AS4ALDOSTERONEA2AA20.78
AS4ALDOSTERONEA2Q1H0.78
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.86
FUAFUSIDIC ACIDA1QCA0.74
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.74
FUAFUSIDIC ACIDA,B2VUF0.74
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.73
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.91
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.91
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.91
TESTESTOSTERONEA1JTV0.79
TESTESTOSTERONEA2Q7L0.79
TESTESTOSTERONEA2Q7I0.79
TESTESTOSTERONEA,B1J960.79
TESTESTOSTERONEA2Q7K0.79
TESTESTOSTERONEA,B1Q130.79
TESTESTOSTERONEH1I9J0.79
TESTESTOSTERONEA,B1AFS0.79
TESTESTOSTERONEH1VPO0.79
TESTESTOSTERONEA2Q7J0.79
TESTESTOSTERONEA,B3BUR0.79
TESTESTOSTERONEA2AM90.79
0MAmaslinic acidA2QN20.71
GR4H,I1AWF0.71
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.75
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.75
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.75
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.75
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.75
2OBCHOLESTERYL OLEATEA2OBD0.77
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,D1AWH0.81
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.73
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.73
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.73
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.73
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.73
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.73
ASD4-ANDROSTENE-3-17-DIONEA1XF00.73
ZK59ALPHA-FLUOROCORTISOLA1GS40.77
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,B1BUQ0.9
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.77
DTXDIGITOXIGENINA1LNM0.72
CBOCARBENOXOLONEA,B,C,D1HDC0.82
CBOCARBENOXOLONEA,B,C,D2BEL0.82
DEXDEXAMETHASONEA,D1M2Z0.75
DEXDEXAMETHASONEA,B,C,D1P930.75
SNLSPIRONOLACTONEA,B2AB20.8
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.8
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.77
C0RCORTICOSTERONEA2A3I0.77
C0RCORTICOSTERONEA,B1Y5R0.77
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.74
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.74
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.74
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.74
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.74
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
CLLCHOLESTERYL LINOLEATEA,B1CLE0.77
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.89
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.76