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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02447858

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A2RKV0.76
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A,B,C,D2ZBA0.76
RGCREIDISPONGIOLIDE CA2ASP0.75
ZK59ALPHA-FLUOROCORTISOLA1GS40.71
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,D1AWH0.77
PRB13-ACETYLPHORBOLA1PTR0.76
TG1A,B2AGV0.75
TG1A2ZBF0.75
TG1A2ZBG0.75
TG1A,B,C,D1WPG0.75
TG1A2C8L0.75
TG1A2EAR0.75
TG1A,B1IWO0.75
TG1A2C880.75
TG1A2DQS0.75
TG1A2C8K0.75
TG1A1XP50.75
TG1A2EAT0.75
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one
A3B2S0.8
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.77
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.77
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.77
FUAFUSIDIC ACIDA1QCA0.75
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.75
FUAFUSIDIC ACIDA,B2VUF0.75
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
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
3G710.84
FOKFORSKOLINA,C3C160.77
FOKFORSKOLINA,C1CJU0.77
FOKFORSKOLINA,C1TL70.77
FOKFORSKOLINA,B1AB80.77
FOKFORSKOLINA,C3C140.77
FOKFORSKOLINA,C1CJT0.77
FOKFORSKOLINA,B,C1CUL0.77
FOKFORSKOLINA,C1CJV0.77
FOKFORSKOLINA,C3C150.77
FOKFORSKOLINA,C1U0H0.77
FOKFORSKOLINA,B,C1CS40.77
FOKFORSKOLINA,C1CJK0.77
13T13-DEOXYTEDANOLIDE0,1,3,9,A,B,
C,H,J,K,L,M,
N,O,Q,R,S,T,
U,Y,Z
2OTJ0.72
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
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EAU0.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB30.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A3EB40.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B2AAX0.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A1H610.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A,B3CMF0.74
PDN17,21-DIHYDROXYPREGNA-1,4-DIENE-
3,11,20-TRIONE
A2Q1V0.74
DEXDEXAMETHASONEA,D1M2Z0.73
DEXDEXAMETHASONEA,B,C,D1P930.73
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.78
OVA3,4-DIHYDROXY-2-METHOXY-4-METHYL-
3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -
OXIRANYL]-CYCLOHEXANONE
A2GZ50.71
OVA3,4-DIHYDROXY-2-METHOXY-4-METHYL-
3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -
OXIRANYL]-CYCLOHEXANONE
A1B590.71
MRCMUPIROCINA1JZS0.72
MRCMUPIROCINA,T1FFY0.72
MRCMUPIROCINA1QU30.72
MRCMUPIROCINA,T1QU20.72
CBOCARBENOXOLONEA,B,C,D1HDC0.71
CBOCARBENOXOLONEA,B,C,D2BEL0.71
DOGDIGOXIGENINA1LKE0.74
PIDPERIDININA2C9E0.73
PIDPERIDININM,N,O1PPR0.73
OBNOUABAINH,L1IBG0.74
SIMSIMVASTATINA,B,C,D1HW90.71
SRNSORANGICIN AC,D1YNJ0.73
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.79
DTXDIGITOXIGENINA1LNM0.73
GR4H,I1AWF0.8
GA3GIBBERELLIN A3A2ZSH0.76
GA3GIBBERELLIN A3A,B,C,D,E,F3ED10.76
FUGFUMAGILLINA,B3FMQ0.72
FUGFUMAGILLINA1BOA0.72
DGXDIGOXINB,D1IGJ0.71
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,B1BUQ0.76
GA4GIBBERELLIN A4A2ZSI0.71
GA4GIBBERELLIN A4A,B,C,D,E,F3EBL0.71
GA4GIBBERELLIN A4H,I1KFA0.71