Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50074685
Substrate
n/a
Meas. Tech.
ChEMBL_159770 (CHEMBL763095)
IC50
16000±n/a nM
Citation
 Bouras, A; Boggetto, N; Benatalah, Z; de Rosny, E; Sicsic, S; Reboud-Ravaux, M Design, synthesis, and evaluation of conformationally constrained tongs, new inhibitors of HIV-1 protease dimerization. J Med Chem 42:957-62 (1999) [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:
BDBM50074685
Synonyms:
(S)-2-{(S)-2-[2-(4-{6-[3-({[(S)-1-((S)-1-Methoxycarbonyl-3-methyl-butylcarbamoyl)-3-methyl-butylcarbamoyl]-methyl}-carbamoyl)-propoxy]-pyridin-2-yloxy}-butyrylamino)-acetylamino]-4-methyl-pentanoylamino}-4-methyl-pentanoic acid methyl ester | CHEMBL369462
Type:
Small organic molecule
Emp. Form.:
C43H71N7O12
Mol. Mass.:
878.0635
SMILES:
COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CCCOc1cccc(OCCCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OC)n1
Structure:
Search PDB for entries with ligand similarity: