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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02482302

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DTXDIGITOXIGENINA1LNM0.76
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPG0.71
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPJ0.71
FFA(10ALPHA,13ALPHA,14BETA,17ALPHA)-
17-HYDROXYANDROST-4-EN-3-ONE
A,B2IPF0.71
CBW(3BETA,5BETA,14BETA)-3-HYDROXY-
11-OXOOLEAN-12-EN-29-OIC ACID
A2W4Q0.71
CBOCARBENOXOLONEA,B,C,D1HDC0.73
CBOCARBENOXOLONEA,B,C,D2BEL0.73
PULA2C780.71
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
3G710.86
FUAFUSIDIC ACIDA1QCA0.78
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.78
FUAFUSIDIC ACIDA,B2VUF0.78
SIMSIMVASTATINA,B,C,D1HW90.74
OKAOKADAIC ACIDA1JK70.72
OKAOKADAIC ACIDC2IE40.72
OKAOKADAIC ACIDA1U320.72
2OBCHOLESTERYL OLEATEA2OBD0.71
0MAmaslinic acidA2QN20.72
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
A,D1R1K0.82
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,U1Z5X0.82
P1A2,3,14,20,22-PENTAHYDROXYCHOLEST-
7-EN-6-ONE
E,F,G,H2NXX0.82
DGXDIGOXINB,D1IGJ0.75
PRB13-ACETYLPHORBOLA1PTR0.76
CLLCHOLESTERYL LINOLEATEA,B1CLE0.71
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,B1BUQ0.77
GA3GIBBERELLIN A3A2ZSH0.77
GA3GIBBERELLIN A3A,B,C,D,E,F3ED10.77
RGCREIDISPONGIOLIDE CA2ASP0.78
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
A3GYT0.7
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
114COMPACTINA,B,C,D1HW80.72
AS4ALDOSTERONEA2AA20.72
AS4ALDOSTERONEA2Q1H0.72
GR4H,I1AWF0.84
DEXDEXAMETHASONEA,D1M2Z0.76
DEXDEXAMETHASONEA,B,C,D1P930.76
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.8
0ASasiatic acidA2QN10.72
DOGDIGOXIGENINA1LKE0.77
E7BA,B3E7B0.71
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.82
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one
A3B2S0.77
SPXSPHINXOLIDE BA2ASO0.71
MOUA,B2NPF0.71
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
TG1A,B2AGV0.76
TG1A2ZBF0.76
TG1A2ZBG0.76
TG1A,B,C,D1WPG0.76
TG1A2C8L0.76
TG1A2EAR0.76
TG1A,B1IWO0.76
TG1A2C880.76
TG1A2DQS0.76
TG1A2C8K0.76
TG1A1XP50.76
TG1A2EAT0.76
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,D1AWH0.79
TESTESTOSTERONEA1JTV0.71
TESTESTOSTERONEA2Q7L0.71
TESTESTOSTERONEA2Q7I0.71
TESTESTOSTERONEA,B1J960.71
TESTESTOSTERONEA2Q7K0.71
TESTESTOSTERONEA,B1Q130.71
TESTESTOSTERONEH1I9J0.71
TESTESTOSTERONEA,B1AFS0.71
TESTESTOSTERONEH1VPO0.71
TESTESTOSTERONEA2Q7J0.71
TESTESTOSTERONEA,B3BUR0.71
TESTESTOSTERONEA2AM90.71
PLO(3BETA)-3-HYDROXYPREGN-5-EN-20-
ONE
A1Q200.7
SXNSalinixanthinA,B3DDL0.73
OBNOUABAINH,L1IBG0.78
C0RCORTICOSTERONEA2A3I0.73
C0RCORTICOSTERONEA,B1Y5R0.73
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A2RKV0.75
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A,B,C,D2ZBA0.75
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.77
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.77
MRCMUPIROCINA1JZS0.73
MRCMUPIROCINA,T1FFY0.73
MRCMUPIROCINA1QU30.73
MRCMUPIROCINA,T1QU20.73
803LOVASTATINA,B1CQP0.71
ZK59ALPHA-FLUOROCORTISOLA1GS40.74
13T13-DEOXYTEDANOLIDE0,1,3,9,A,B,
C,H,J,K,L,M,
N,O,Q,R,S,T,
U,Y,Z
2OTJ0.73
FOKFORSKOLINA,C3C160.79
FOKFORSKOLINA,C1CJU0.79
FOKFORSKOLINA,C1TL70.79
FOKFORSKOLINA,B1AB80.79
FOKFORSKOLINA,C3C140.79
FOKFORSKOLINA,C1CJT0.79
FOKFORSKOLINA,B,C1CUL0.79
FOKFORSKOLINA,C1CJV0.79
FOKFORSKOLINA,C3C150.79
FOKFORSKOLINA,C1U0H0.79
FOKFORSKOLINA,B,C1CS40.79
FOKFORSKOLINA,C1CJK0.79
GA4GIBBERELLIN A4A2ZSI0.71
GA4GIBBERELLIN A4A,B,C,D,E,F3EBL0.71
GA4GIBBERELLIN A4H,I1KFA0.71
SRNSORANGICIN AC,D1YNJ0.74