Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50037819
Substrate
n/a
Meas. Tech.
ChEMBL_159307 (CHEMBL769360)
IC50
31±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:
BDBM50037819
Synonyms:
(3S,4aS,8aS)-2-[3-({(2R,4S)-2-[Ethylcarbamoyl-((S)-phenylacetylamino)-methyl]-5,5-dimethyl-thiazolidine-4-carbonyl}-amino)-2-hydroxy-propyl]-decahydro-isoquinoline-3-carboxylic acid tert-butylamide | CHEMBL330980
Type:
Small organic molecule
Emp. Form.:
C35H56N6O5S
Mol. Mass.:
672.921
SMILES:
CCNC(=O)C(NC(=O)Cc1ccccc1)[C@@H]1N[C@@H](C(=O)NCC(O)CN2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)C(C)(C)S1
Structure:
Search PDB for entries with ligand similarity: