Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM823
Substrate
n/a
IC50
<0.200000±n/a nM
Citation
 Munroe, JE; Shepherd, TA; Jungheim, LN; Hornback, WJ; Hatch, SD; Muesing, MA; Wiskerchen, M; Su, KS; Campanale, KM; Baxter, AJ; Colacino, JM Potent, orally bioavailable HIV-1 protease inhibitors containing noncoded D-amino acids Bioorg Med Chem Lett 5:2897-902 (1995)   
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:
BDBM823
Synonyms:
(3aR,6S,7aS)-N-tert-butyl-5-[(2R,3S)-2-hydroxy-3-[(2S)-2-methanesulfonamido-3-(naphthalene-2-sulfonyl)propanamido]-4-phenylbutyl]-octahydrothieno[3,2-c]pyridine-6-carboxamide | Saquinavir/Nelfinavir deriv. 27
Type:
Small organic molecule
Emp. Form.:
C36H48N4O7S3
Mol. Mass.:
744.984
SMILES:
[H][C@]12CCS[C@@]1([H])C[C@H](N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1ccc3ccccc3c1)NS(C)(=O)=O)C2)C(=O)NC(C)(C)C |r|
Structure:
Search PDB for entries with ligand similarity: