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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02396592

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.73
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,B1T020.75
114COMPACTINA,B,C,D1HW80.75
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
CBOCARBENOXOLONEA,B,C,D1HDC0.7
CBOCARBENOXOLONEA,B,C,D2BEL0.7
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.71
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.71
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.71
PRB13-ACETYLPHORBOLA1PTR0.71
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.71
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,C1YA80.72
SIMSIMVASTATINA,B,C,D1HW90.77
AS4ALDOSTERONEA2AA20.72
AS4ALDOSTERONEA2Q1H0.72
HYF4-HYDROXY-5-ISOBUTYRYL-6-METHYL-
1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)-
6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON-
3-ENE-2,9-DIONE
A1M130.72
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.73
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.73
0MAmaslinic acidA2QN20.71
DEXDEXAMETHASONEA,D1M2Z0.74
DEXDEXAMETHASONEA,B,C,D1P930.74
C0RCORTICOSTERONEA2A3I0.74
C0RCORTICOSTERONEA,B1Y5R0.74
1CADESOXYCORTICOSTERONEA,B1Y9R0.71
1CADESOXYCORTICOSTERONEA,B,C2ABI0.71
1CADESOXYCORTICOSTERONEA2Q3Y0.71
1CADESOXYCORTICOSTERONEA2AA70.71
ZK59ALPHA-FLUOROCORTISOLA1GS40.72
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.72
OPD9R,13R-12-OXOPHYTODIENOIC ACIDA,B1ICQ0.72
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.72
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.72
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.72
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.72
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.72
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.72
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.72
803LOVASTATINA,B1CQP0.71
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.71
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.71
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.71
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.76
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,B1BUQ0.71
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.73
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.71
VTQRRR-ALPHA-TOCOPHERYLQUINONEA,C,E1OLM0.7