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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02502581

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AS4ALDOSTERONEA2AA20.73
AS4ALDOSTERONEA2Q1H0.73
DTXDIGITOXIGENINA1LNM0.76
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.76
0ASasiatic acidA2QN10.75
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
1642-(3-CARBOXYPROPIONYL)-6-HYDROXY-
CYCLOHEXA-2,4-DIENE CARBOXYLIC ACID
A1R6W0.7
GA3GIBBERELLIN A3A2ZSH0.74
GA3GIBBERELLIN A3A,B,C,D,E,F3ED10.74
WINmethyl (5beta,7alpha,9beta,10alpha,11alpha,12alpha,13beta,15alpha)-
15-{[(2E)-3,4-dimethylpent-2-enoyl]oxy}-
3,11,12-trihydroxy-2,16-dioxo-13,20-
epoxypicras-3-en-21-oate
0,1,2,3,9,A,
B,C,F,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z
3G710.78
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.83
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.83
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.83
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.83
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.83
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.83
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.83
DL4(14beta,17alpha,25R)-3-oxocholest-
4-en-26-oic acid
A3GYT0.75
FOKFORSKOLINA,C3C160.73
FOKFORSKOLINA,C1CJU0.73
FOKFORSKOLINA,C1TL70.73
FOKFORSKOLINA,B1AB80.73
FOKFORSKOLINA,C3C140.73
FOKFORSKOLINA,C1CJT0.73
FOKFORSKOLINA,B,C1CUL0.73
FOKFORSKOLINA,C1CJV0.73
FOKFORSKOLINA,C3C150.73
FOKFORSKOLINA,C1U0H0.73
FOKFORSKOLINA,B,C1CS40.73
FOKFORSKOLINA,C1CJK0.73
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.8
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.8
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.8
TG1A,B2AGV0.72
TG1A2ZBF0.72
TG1A2ZBG0.72
TG1A,B,C,D1WPG0.72
TG1A2C8L0.72
TG1A2EAR0.72
TG1A,B1IWO0.72
TG1A2C880.72
TG1A2DQS0.72
TG1A2C8K0.72
TG1A1XP50.72
TG1A2EAT0.72
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one
A3B2S0.71
0MAmaslinic acidA2QN20.77
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,B1T020.7
114COMPACTINA,B,C,D1HW80.7
1CADESOXYCORTICOSTERONEA,B1Y9R0.74
1CADESOXYCORTICOSTERONEA,B,C2ABI0.74
1CADESOXYCORTICOSTERONEA2Q3Y0.74
1CADESOXYCORTICOSTERONEA2AA70.74
RGCREIDISPONGIOLIDE CA2ASP0.72
SIMSIMVASTATINA,B,C,D1HW90.72
803LOVASTATINA,B1CQP0.72
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B1SQN0.7
NDR(14beta,17alpha)-17-ethynyl-17-
hydroxyestr-4-en-3-one
A,B2W8Y0.7
DEXDEXAMETHASONEA,D1M2Z0.76
DEXDEXAMETHASONEA,B,C,D1P930.76
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.8
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A1LHV0.7
NOG13-BETA-ETHYL-17-ALPHA-ETHYNYL-
17-BETA-HYDROXYGON-4-EN-3-ONE
A,B3D900.7
DOGDIGOXIGENINA1LKE0.77
CLLCHOLESTERYL LINOLEATEA,B1CLE0.75
GR4H,I1AWF0.76
C0RCORTICOSTERONEA2A3I0.74
C0RCORTICOSTERONEA,B1Y5R0.74
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
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.75
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.75
PRB13-ACETYLPHORBOLA1PTR0.73
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA,B1E3R0.74
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA3DHE0.74
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1J990.74
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1COY0.74
AND3-BETA-HYDROXY-5-ANDROSTEN-17-ONEA1Q220.74
HCR7-HYDROXYCHOLESTEROLA1ZHT0.7
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.82
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.82
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.82
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
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.8
CBOCARBENOXOLONEA,B,C,D1HDC0.76
CBOCARBENOXOLONEA,B,C,D2BEL0.76
SRNSORANGICIN AC,D1YNJ0.73
ZK59ALPHA-FLUOROCORTISOLA1GS40.74
2OBCHOLESTERYL OLEATEA2OBD0.75
OBNOUABAINH,L1IBG0.73
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,C1YA80.71
SNLSPIRONOLACTONEA,B2AB20.71
SNLSPIRONOLACTONEA,B,C,D,E,F2OAX0.71
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,B1BUQ0.81
DL7(5beta,14beta,17alpha,25R)-3-oxocholest-
7-en-26-oic acid
A3GYU0.72
FUAFUSIDIC ACIDA1QCA0.8
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.8
FUAFUSIDIC ACIDA,B2VUF0.8
DGXDIGOXINB,D1IGJ0.71
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.75