Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM602
Substrate
Peptide substrate
Meas. Tech.
Protease Inhibition Assay
pH
6±n/a
Temperature
310.15±n/a K
IC50
40±n/a nM
Citation
 Humber, DCBamford, MJBethell, RCCammack, NCobley, KEvans, DNGray, NMHann, MMOrr, DCSaunders, 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:
BDBM602
Synonyms:
(2R,4S)-2-[(R)-[(2-hydroxyethyl)carbamoyl](1-phenylacetamido)methyl]-N-(2-{[(2R,4S)-2-[(R)-[(2-hydroxyethyl)carbamoyl](1-phenylacetamido)methyl]-5,5-dimethyl-1,3-thiazolidin-4-yl]formamido}ethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxamide | Penicillin Et(NH)2 Sym dimer | penicillin deriv. 15
Type:
Small organic molecule
Emp. Form.:
C38H54N8O8S2
Mol. Mass.:
815.014
SMILES:
[H][C@]1(N[C@@H](C(=O)NCCNC(=O)[C@@H]2N[C@]([H])(SC2(C)C)[C@H](NC(=O)Cc2ccccc2)C(=O)NCCO)C(C)(C)S1)[C@H](NC(=O)Cc1ccccc1)C(=O)NCCO |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