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Target
HIV WT-C pol protein (wild-type clade C)
Ligand
BDBM8125
Substrate
n/a
Meas. Tech.
Drug Susceptibility Assay
EC50
0.18±0.0 nM
Citation
 Shen, Y; Altman, MD; Ali, A; Nalam, MN; Cao, H; Rana, TM; Schiffer, CA; Tidor, B Testing the substrate-envelope hypothesis with designed pairs of compounds. ACS Chem Biol 8:2433-41 (2013) [PubMed]  Article 
Target
Name:
HIV WT-C pol protein (wild-type clade C)
Synonyms:
Gag-Pol polyprotein [489-892,I504V,M525I,R530K,H558K,L578M,I582L,V609I,V623T,E624A,T627E,E628D,K631R,Q690K,D711S,C750S,D765E,T788A,Q795E,R799K,P831S,V833E,D838E,A860P,R865K,E879D,V880I] | POL_HV1N5 | WT-C | gag-pol
Type:
Protein
Mol. Mass.:
45932.56
Organism:
Human immunodeficiency virus
Description:
P12497[489-892,I504V,M525I,R530K,H558K,L578M,I582L,V609I,V623T,E624A,T627E,E628D,K631R,Q690K,D711S,C750S,D765E,T788A,Q795E,R799K,P831S,V833E,D838E,A860P,R865K,E879D,V880I]
Residue:
404
Sequence:
PQITLWQRPLVTIKVGGQLKEALLDTGADDTVLEEINLPGKWKPKMIGGIGGFIKVRQYDQILIEICGKKAIGTVLVGPTPVNIIGRNMLTQLGCTLNFPISPIETVPVKLKPGMDGPKIKQWPLTEEKIKALTAICEDMEREGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDKSFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPEIVIYQYMDDLYVGSDLEIGQHRAKIEELREHLLKWGFTTPDKKHQKEPPFLWMGYELHPDKWTVQSIELPEKESWTVNDIQKLVGKLNWASQIYPGIKVKQLCKLLRGTKALTDIVPLTEEAELELAE
  
Inhibitor
Name:
BDBM8125
Synonyms:
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate | CHEMBL1323 | Darunavir | Darunavir (DRV) | TMC-114 | UIC-94017 | US10806794, Compound Darunavir
Type:
Small organic molecule
Emp. Form.:
C27H37N3O7S
Mol. Mass.:
547.664
SMILES:
[H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r|
Structure:
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