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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03498392

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
803LOVASTATINA,B1CQP0.73
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
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,C1YA80.74
ZK59ALPHA-FLUOROCORTISOLA1GS40.76
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE		A2AMB0.74
AS4ALDOSTERONEA2AA20.75
AS4ALDOSTERONEA2Q1H0.75
SIMSIMVASTATINA,B,C,D1HW90.74
0MAmaslinic acidA2QN20.72
CBOCARBENOXOLONEA,B,C,D1HDC0.7
CBOCARBENOXOLONEA,B,C,D2BEL0.7
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,B1BUQ0.72
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.76
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.76
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.76
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.76
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.76
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,B1T020.72
1CADESOXYCORTICOSTERONEA,B1Y9R0.74
1CADESOXYCORTICOSTERONEA,B,C2ABI0.74
1CADESOXYCORTICOSTERONEA2Q3Y0.74
1CADESOXYCORTICOSTERONEA2AA70.74
114COMPACTINA,B,C,D1HW80.72
CDZ3,5-dihydroxy-4,6,6-tris(3-methylbut-
2-en-1-yl)-2-(2-methylpropanoyl)cyclohexa-
2,4-dien-1-one		A2QNV0.74
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		A,D1R1K0.79
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,U1Z5X0.79
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE		E,F,G,H2NXX0.79
HEQ3-[18-(4-HYDROXY-2,6,6-TRIMETHYL-
CYCLOHEX-1-ENYL)-3,7,12,16-TETRAMETHYL-
OCTADECA-1,3,5,7,9,11,13,15, 17-
NONAENYL]-2,4,4-TRIMETHYL-CYCLOHEX-
2-ENONE		A,B1M980.72
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
VTQRRR-ALPHA-TOCOPHERYLQUINONEA,C,E1OLM0.71
DEXDEXAMETHASONEA,D1M2Z0.74
DEXDEXAMETHASONEA,B,C,D1P930.74
AXTASTAXANTHINA,B1GKA0.72
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
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
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one		A,D2R400.79
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.71
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.71
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.71
C0RCORTICOSTERONEA2A3I0.78
C0RCORTICOSTERONEA,B1Y5R0.78
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A,B2VDY0.77
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione		A2V950.77
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID		A2W4Q0.74
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.73
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE		A1Q200.75