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Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM635
Substrate
n/a
Meas. Tech.
ChEMBL_159307 (CHEMBL769360)
IC50
540±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:
BDBM635
Synonyms:
(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-N-(3-{[(2R,4S)-2-[(R)-(benzylcarbamoyl)(1-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}propyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | CHEMBL318844 | Penicillin Et(NH)2 Sym dimer | penicillin deriv. 48
Type:
Small organic molecule
Emp. Form.:
C49H60N8O6S2
Mol. Mass.:
921.181
SMILES:
[H][C@]1(N[C@@H](C(=O)NCCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccccc1 |r|
Structure:
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