Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50037822
Substrate
n/a
Meas. Tech.
ChEMBL_159307 (CHEMBL769360)
IC50
190±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:
BDBM50037822
Synonyms:
3-[(S)-3-({(2R,4S)-2-[Benzylcarbamoyl-((S)-phenylacetylamino)-methyl]-5,5-dimethyl-thiazolidine-4-carbonyl}-amino)-2-hydroxy-propyl]-2,2,5,5-tetramethyl-thiazolidine-4-carboxylic acid tert-butylamide | CHEMBL122104
Type:
Small organic molecule
Emp. Form.:
C38H56N6O5S2
Mol. Mass.:
741.018
SMILES:
CC(C)(C)NC(=O)C1N(C[C@@H](O)CNC(=O)[C@@H]2N[C@H](SC2(C)C)C(NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)C(C)(C)SC1(C)C
Structure:
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