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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02454278

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MRCMUPIROCINA1JZS0.71
MRCMUPIROCINA,T1FFY0.71
MRCMUPIROCINA1QU30.71
MRCMUPIROCINA,T1QU20.71
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
3G710.98
PXTPECTENOTOXIN-2A2Q0U0.73
PXTPECTENOTOXIN-2A2Q0R0.73
GA3GIBBERELLIN A3A2ZSH0.74
GA3GIBBERELLIN A3A,B,C,D,E,F3ED10.74
FUAFUSIDIC ACIDA1QCA0.72
FUAFUSIDIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1Q230.72
FUAFUSIDIC ACIDA,B2VUF0.72
ZK59ALPHA-FLUOROCORTISOLA1GS40.71
OVA3,4-DIHYDROXY-2-METHOXY-4-METHYL-
3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -
OXIRANYL]-CYCLOHEXANONE
A2GZ50.7
OVA3,4-DIHYDROXY-2-METHOXY-4-METHYL-
3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -
OXIRANYL]-CYCLOHEXANONE
A1B590.7
20E(2beta,3beta,5beta,22R)-2,3,14,20,22,25-
hexahydroxycholest-7-en-6-one
A,D2R400.75
MOUA,B2NPF0.73
PRB13-ACETYLPHORBOLA1PTR0.76
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,D1AWH0.73
TH2TESTOSTERONE HEMISUCCINATEA,B2CBT0.72
TH2TESTOSTERONE HEMISUCCINATEA,B,C,D,E,F2CBQ0.72
TH2TESTOSTERONE HEMISUCCINATEA2CBO0.72
OKAOKADAIC ACIDA1JK70.74
OKAOKADAIC ACIDC2IE40.74
OKAOKADAIC ACIDA1U320.74
GA4GIBBERELLIN A4A2ZSI0.7
GA4GIBBERELLIN A4A,B,C,D,E,F3EBL0.7
GA4GIBBERELLIN A4H,I1KFA0.7
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
E7BA,B3E7B0.71
GR4H,I1AWF0.79
B2S(3alpha,7alpha)-3,7,15-trihydroxy-
12,13-epoxytrichothec-9-en-8-one
A3B2S0.78
DOGDIGOXIGENINA1LKE0.7
TG1A,B2AGV0.79
TG1A2ZBF0.79
TG1A2ZBG0.79
TG1A,B,C,D1WPG0.79
TG1A2C8L0.79
TG1A2EAR0.79
TG1A,B1IWO0.79
TG1A2C880.79
TG1A2DQS0.79
TG1A2C8K0.79
TG1A1XP50.79
TG1A2EAT0.79
FOKFORSKOLINA,C3C160.81
FOKFORSKOLINA,C1CJU0.81
FOKFORSKOLINA,C1TL70.81
FOKFORSKOLINA,B1AB80.81
FOKFORSKOLINA,C3C140.81
FOKFORSKOLINA,C1CJT0.81
FOKFORSKOLINA,B,C1CUL0.81
FOKFORSKOLINA,C1CJV0.81
FOKFORSKOLINA,C3C150.81
FOKFORSKOLINA,C1U0H0.81
FOKFORSKOLINA,B,C1CS40.81
FOKFORSKOLINA,C1CJK0.81
SRNSORANGICIN AC,D1YNJ0.73
RGCREIDISPONGIOLIDE CA2ASP0.71
OBNOUABAINH,L1IBG0.73
13T13-DEOXYTEDANOLIDE0,1,3,9,A,B,
C,H,J,K,L,M,
N,O,Q,R,S,T,
U,Y,Z
2OTJ0.73
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A,B2VDY0.72
HCY(11alpha,14beta)-11,17,21-trihydroxypregn-
4-ene-3,20-dione
A2V950.72
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A2RKV0.74
ZBA12,13-Epoxytrichothec-9-ene-3,4,8,15-
tetrol-4,15-diacetate-8-isovalerate
A,B,C,D2ZBA0.74
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,B1BUQ0.71
DGXDIGOXINB,D1IGJ0.71
SIHPROGESTERONE-11-ALPHA-OL-HEMISUCCINATEH1DBM0.73