Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM606
Substrate
Peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
6±n/a
Temperature
310.15±n/a K
IC50
7800±n/a nM
Citation
 Humber, DC; Bamford, MJ; Bethell, RC; Cammack, N; Cobley, K; Evans, DN; Gray, NM; Hann, MM; Orr, DC; Saunders, J A series of penicillin derived C2-symmetric inhibitors of HIV-1 proteinase: synthesis, mode of interaction, and structure-activity relationships. J Med Chem 36:3120-8 (1993) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [489-587]
Synonyms:
HIV-1 Protease
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
HIV protease | HIV-1 Protease (NY5-type sequence) | HIV-1 Protease chain A | HIV-1 Protease chain B | POL_HV1N5 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10822.21
Organism:
Human immunodeficiency virus type 1
Description:
P12497[489-587]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
HIV protease | HIV-1 Protease (NY5-type sequence) | HIV-1 Protease chain A | HIV-1 Protease chain B | POL_HV1N5 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10822.21
Organism:
Human immunodeficiency virus type 1
Description:
P12497[489-587]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM606
Synonyms:
(2R,4S)-N-(2-{[(2R,4S)-5,5-dimethyl-2-[(1-phenylacetamido)methyl]-1,3-thiazolidin-4-yl]formamido}ethyl)-5,5-dimethyl-2-[(1-phenylacetamido)methyl]-1,3-thiazolidine-4-carboxamide | Penicillin Et(NH)2 Sym dimer | [2R-trans]-N,N -[1,2-ethanediyl]bis[5,5-dimethyl-2-[[(phenylacetyl)amino]methyl]-4-thiazolidinecarboxamide] | penicillin deriv. 19
Type:
Small organic molecule
Emp. Form.:
C32H44N6O4S2
Mol. Mass.:
640.86
SMILES:
[H][C@@]1(CNC(=O)Cc2ccccc2)N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@@]([H])(CNC(=O)Cc3ccccc3)SC2(C)C)C(C)(C)S1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Peptide substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
1467.64
Organism:
n/a
Description:
n/a
Residue:
13
Sequence:
KQGTVSFNFPQIT