Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50127969
Substrate
n/a
Meas. Tech.
ChEBML_159452
IC50
0.080000±n/a nM
Citation
 Lu, Z; Raghavan, S; Bohn, J; Charest, M; Stahlhut, MW; Rutkowski, CA; Simcoe, AL; Olsen, DB; Schleif, WA; Carella, A; Gabryelski, L; Jin, L; Lin, JH; Emini, E; Chapman, K; Tata, JR Design and synthesis of highly potent HIV protease inhibitors with activity against resistant virus. Bioorg Med Chem Lett 13:1821-4 (2003) [PubMed]  Article 
Target
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
Human immunodeficiency virus type 1 protease | POL_HV1H2 | Pol polyprotein | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10781.16
Organism:
Human immunodeficiency virus type 1
Description:
P04585[489-587]
Residue:
99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM50127969
Synonyms:
(R)-3-[(2R,4R)-2-Hydroxy-4-((3S,4S)-3-hydroxy-chroman-4-ylcarbamoyl)-5-phenyl-pentanoyl]-5,5-dimethyl-thiazolidine-4-carboxylic acid 2,6-dimethyl-benzylamide | CHEMBL52702
Type:
Small organic molecule
Emp. Form.:
C36H43N3O6S
Mol. Mass.:
645.808
SMILES:
Cc1cccc(C)c1CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12
Structure:
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