Brief Information of the Compound and Protein
Compound Name
2,2-Dimethyl-succinic acid 4-((1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-carboxy-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-icosahydro-cyclopenta[a]chrysen-9-yl) ester
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PubChem ID
CID: 457928
SID: 14935839
Canonical SMILES
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O
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Compound Formula C36H56O6
Compound Structure
Protein Name
Gag-Pol polyprotein
Protein Classification
Enzyme
>
Transferase
Uniprot ID
P04585
Gene Name
GAG-POL
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000262 MT-2 Homo sapiens (Human)  6
1
EC50 = 10 nM
   TI
   LI
   LO
   TS
2
EC50 = 10.4 nM
   TI
   LI
   LO
   TS
3
EC50 = 74 nM
   TI
   LI
   LO
   TS
4
EC50 = 970 nM
   TI
   LI
   LO
   TS
5
EC50 = 1120 nM
   TI
   LI
   LO
   TS
6
IC50 = 552 nM
   TI
   LI
   LO
   TS