Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50102267
Substrate
n/a
Meas. Tech.
ChEMBL_196188 (CHEMBL801175)
Ki
70±n/a nM
Citation
 Campiani, G; Aiello, F; Fabbrini, M; Morelli, E; Ramunno, A; Armaroli, S; Nacci, V; Garofalo, A; Greco, G; Novellino, E; Maga, G; Spadari, S; Bergamini, A; Ventura, L; Bongiovanni, B; Capozzi, M; Bolacchi, F; Marini, S; Coletta, M; Guiso, G; Caccia, S Quinoxalinylethylpyridylthioureas (QXPTs) as potent non-nucleoside HIV-1 reverse transcriptase (RT) inhibitors. Further SAR studies and identification of a novel orally bioavailable hydrazine-based antiviral agent. J Med Chem 44:305-15 (2001) [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:
BDBM50102267
Synonyms:
1-(5-Bromo-pyridin-2-yl)-3-[2-(7-chloro-pyrrolo[1,2-a]quinoxalin-4-yloxy)-ethyl]-thiourea | CHEMBL105976
Type:
Small organic molecule
Emp. Form.:
C19H15BrClN5OS
Mol. Mass.:
476.777
SMILES:
Clc1ccc2c(c1)nc(OCCNC(=S)Nc1ccc(Br)cn1)c1cccn21
Structure:
Search PDB for entries with ligand similarity: