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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02502950

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ZK59ALPHA-FLUOROCORTISOLA1GS40.81
SIMSIMVASTATINA,B,C,D1HW90.73
HC220-HYDROXYCHOLESTEROLA1ZHW0.71
803LOVASTATINA,B1CQP0.73
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.8
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.8
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.8
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.8
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.8
AXTASTAXANTHINA,B1GKA0.79
HC325-HYDROXYCHOLESTEROLA1ZHX0.71
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.76
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.81
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
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.83
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.83
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.75
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.75
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.75
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.75
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.75
CLRCHOLESTEROLA,B2ZXE0.7
CLRCHOLESTEROLA1N830.7
CLRCHOLESTEROLA2RH10.7
CLRCHOLESTEROLA1LRI0.7
CLRCHOLESTEROLA1ZHY0.7
CLRCHOLESTEROLA3D4S0.7
1CADESOXYCORTICOSTERONEA,B1Y9R0.85
1CADESOXYCORTICOSTERONEA,B,C2ABI0.85
1CADESOXYCORTICOSTERONEA2Q3Y0.85
1CADESOXYCORTICOSTERONEA2AA70.85
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,B1BUQ0.77
TESTESTOSTERONEA1JTV0.84
TESTESTOSTERONEA2Q7L0.84
TESTESTOSTERONEA2Q7I0.84
TESTESTOSTERONEA,B1J960.84
TESTESTOSTERONEA2Q7K0.84
TESTESTOSTERONEA,B1Q130.84
TESTESTOSTERONEH1I9J0.84
TESTESTOSTERONEA,B1AFS0.84
TESTESTOSTERONEH1VPO0.84
TESTESTOSTERONEA2Q7J0.84
TESTESTOSTERONEA,B3BUR0.84
TESTESTOSTERONEA2AM90.84
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,D1AWH0.73
DEXDEXAMETHASONEA,D1M2Z0.79
DEXDEXAMETHASONEA,B,C,D1P930.79
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
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.9
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.78
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.78
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.78
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.77
0MAmaslinic acidA2QN20.84
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.75
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.75
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.75
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.73
FUAFUSIDIC ACIDA1QCA0.71
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.71
FUAFUSIDIC ACIDA,B2VUF0.71
CBOCARBENOXOLONEA,B,C,D1HDC0.83
CBOCARBENOXOLONEA,B,C,D2BEL0.83
AS4ALDOSTERONEA2AA20.82
AS4ALDOSTERONEA2Q1H0.82
LANLANOSTEROLA1W6K0.72
C0RCORTICOSTERONEA2A3I0.85
C0RCORTICOSTERONEA,B1Y5R0.85
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.75
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.75
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.75
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.75
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.75
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.75
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.75
0ASasiatic acidA2QN10.82
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,B1M980.76
ERGERGOSTEROLA1BXM0.72
ERGERGOSTEROLA1ZHZ0.72
ERGERGOSTEROLA,B2AIB0.72
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,B1T020.71
114COMPACTINA,B,C,D1HW80.71
17H17-HYDROXY-18A-HOMO-19-NOR-17ALPHA-
PREGNA-4,9,11-TRIEN-3-ONE
A2AMB0.76
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.84
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.84
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.84