Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-[(1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-3a-[[3-(4-methylpiperazin-1-yl)propylamino]methyl]-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: 60150844
SID: 144081538
Canonical SMILES
CN1CCN(CCCNC[C@]23CC[C@H]([C@@H]2[C@H]2CC[C@@H]4[C@@]5(C)CC=C(c6ccc(cc6)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(C)=C)CC1
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Compound Formula C45H69N3O2
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)  2
1
EC50 = 0.7 nM
   TI
   LI
   LO
   TS
2
IC50 = 0.4 nM
   TI
   LI
   LO
   TS