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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01726581

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
STRPROGESTERONEA1H600.78
STRPROGESTERONEA,B,C1YA30.78
STRPROGESTERONEA,B2AA60.78
STRPROGESTERONEA1MRQ0.78
STRPROGESTERONEA,B1A280.78
STRPROGESTERONEA,B2AA50.78
STRPROGESTERONEA2HZQ0.78
STRPROGESTERONEA1W0F0.78
STRPROGESTERONEA2ABA0.78
STRPROGESTERONEA,B3COT0.78
STRPROGESTERONEH1DBB0.78
STRPROGESTERONEH,L2O5Y0.78
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.74
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.89
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.89
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.89
1CADESOXYCORTICOSTERONEA,B1Y9R0.86
1CADESOXYCORTICOSTERONEA,B,C2ABI0.86
1CADESOXYCORTICOSTERONEA2Q3Y0.86
1CADESOXYCORTICOSTERONEA2AA70.86
FUAFUSIDIC ACIDA1QCA0.77
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.77
FUAFUSIDIC ACIDA,B2VUF0.77
S5H5-ALPHA-PREGNANE-3-BETA-OL-HEMISUCCINATEL2DBL0.7
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1E3G0.71
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A,B1E3K0.71
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A2AO60.71
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XOW0.71
R18(17BETA)-17-HYDROXY-17-METHYLESTRA-
4,9,11-TRIEN-3-ONE
A1XQ30.71
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.82
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.82
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.82
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.87
0ASasiatic acidA2QN10.74
ANBANDROSTA-1,4-DIENE-3,17-DIONEA1H620.76
ZK59ALPHA-FLUOROCORTISOLA1GS40.8
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.86
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.8
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.8
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.83
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.83
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.83
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.78
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.78
0MAmaslinic acidA2QN20.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.76
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.76
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.76
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.76
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.76
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.76
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.76
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.78
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.78
DOGDIGOXIGENINA1LKE0.72
CBOCARBENOXOLONEA,B,C,D1HDC0.8
CBOCARBENOXOLONEA,B,C,D2BEL0.8
C0RCORTICOSTERONEA2A3I0.84
C0RCORTICOSTERONEA,B1Y5R0.84
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,B1P8D0.7
2OBCHOLESTERYL OLEATEA2OBD0.86
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.74
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.74
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.74
DTXDIGITOXIGENINA1LNM0.72
CLLCHOLESTERYL LINOLEATEA,B1CLE0.86
AS4ALDOSTERONEA2AA20.81
AS4ALDOSTERONEA2Q1H0.81
TESTESTOSTERONEA1JTV0.83
TESTESTOSTERONEA2Q7L0.83
TESTESTOSTERONEA2Q7I0.83
TESTESTOSTERONEA,B1J960.83
TESTESTOSTERONEA2Q7K0.83
TESTESTOSTERONEA,B1Q130.83
TESTESTOSTERONEH1I9J0.83
TESTESTOSTERONEA,B1AFS0.83
TESTESTOSTERONEH1VPO0.83
TESTESTOSTERONEA2Q7J0.83
TESTESTOSTERONEA,B3BUR0.83
TESTESTOSTERONEA2AM90.83
ASD4-ANDROSTENE-3-17-DIONEA,B3CAS0.78
ASD4-ANDROSTENE-3-17-DIONEA1QYX0.78
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D2VCT0.78
ASD4-ANDROSTENE-3-17-DIONEA1EUP0.78
ASD4-ANDROSTENE-3-17-DIONEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2VCV0.78
ASD4-ANDROSTENE-3-17-DIONEA3EQM0.78
ASD4-ANDROSTENE-3-17-DIONEA1XF00.78
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA1S0X0.71
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA2Q9F0.71
C3SCHOLEST-5-EN-3-YL HYDROGEN SULFATEA,B,C2HKA0.71
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,D1AWH0.8
CA4CYPROTERONE ACETATEA2OZ70.8
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
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,B1BUQ0.88
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.71
DEXDEXAMETHASONEA,D1M2Z0.78
DEXDEXAMETHASONEA,B,C,D1P930.78
SNLSPIRONOLACTONEA,B2AB20.81
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.81