Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM50283722
Substrate
n/a
Meas. Tech.
ChEBML_79815
IC50
0.060000±n/a nM
Citation
 Dorsey, BD; McDaniel, SL; Levin, RB; Vacca, JP; Darke, PL; Zuga, JA; Emini, EA; Schleif, WA; Lin, JH; Chen, IW; Holloway, MK; Anderson, PS; Huff, JR Synthesis and evaluation of pyridyl analogs of L-735,524: Potent HIV-1 protease inhibitors Bioorg Med Chem Lett 4:2769-2774 (1994)    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:
BDBM50283722
Synonyms:
(S)-1-[(2S,4R)-2-Hydroxy-4-((1S,2R)-2-hydroxy-indan-1-ylcarbamoyl)-5-pyridin-4-yl-pentyl]-4-thieno[2,3-b]thiophen-2-ylmethyl-piperazine-2-carboxylic acid tert-butylamide | CHEMBL96100
Type:
Small organic molecule
Emp. Form.:
C36H45N5O4S2
Mol. Mass.:
675.904
SMILES:
CC(C)(C)NC(=O)[C@@H]1CN(Cc2cc3ccsc3s2)CCN1C[C@@H](O)C[C@@H](Cc1ccncc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
Structure:
Search PDB for entries with ligand similarity: