Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-[2-(dimethylamino)ethylcarbamoyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,11,11b,12,13,13a,13b-tetradecahydrocyclopenta[a]chrysen-9-yl]benzoic acid
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 PubChem ID
CID: 54764877
SID: 131529107
Canonical SMILES
CN(C)CCNC(=O)[C@]12CC[C@H]([C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)CC=C(c5ccc(cc5)C(O)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2)C(C)=C
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Compound Formula C41H60N2O3
Compound Structure
Protein Name
 Protein Info 
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
 Cell Line Info 
Homo sapiens (Human)  6
1
EC50 = 2.3 nM
   TI
   LI
   LO
   TS
2
EC50 = 3 nM
   TI
   LI
   LO
   TS
3
EC50 = 11 nM
   TI
   LI
   LO
   TS
4
EC50 = 23 nM
   TI
   LI
   LO
   TS
5
EC50 = 42 nM
   TI
   LI
   LO
   TS
6
IC50 = 7.8 nM
   TI
   LI
   LO
   TS