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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50037824
Substrate
n/a
Meas. Tech.
ChEMBL_159307 (CHEMBL769360)
IC50
54.0±n/a nM
Citation
 Kitchin, J; Bethell, RC; Cammack, N; Dolan, S; Evans, DN; Holman, S; Holmes, DS; McMeekin, P; Mo, CL; Nieland, N Synthesis and structure-activity relationships of a series of penicillin-derived HIV proteinase inhibitors: heterocyclic ring systems containing P1' and P2' substituents. J Med Chem 37:3707-16 (1994) [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:
BDBM50037824
Synonyms:
CHEMBL122641 | {(2R,4S)-4-[(S)-3-((3S,4aS,8aS)-3-tert-Butylcarbamoyl-octahydro-isoquinolin-2-yl)-2-hydroxy-propylcarbamoyl]-5,5-dimethyl-thiazolidin-2-yl}-((S)-phenylacetylamino)-acetic acid methyl ester
Type:
Small organic molecule
Emp. Form.:
C34H53N5O6S
Mol. Mass.:
659.88
SMILES:
COC(=O)C(NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NC[C@H](O)CN2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C(C)(C)S1
Structure:
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