Reaction Details Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM813
Substrate
n/a
Meas. Tech.
Protease Inhibition Assay
IC50
1.7±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:
BDBM813
Synonyms:
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-3-[(2S)-2-acetamido-3-(quinoline-8-sulfonyl)propanamido]-2-hydroxy-4-phenylbutyl]-decahydroisoquinoline-3-carboxamide | Saquinavir/Nelfinavir deriv. 17
Type:
Small organic molecule
Emp. Form.:
C38H51N5O6S
Mol. Mass.:
705.906
SMILES:
[H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1cccc3cccnc13)NC(C)=O)[C@@H](C2)C(=O)NC(C)(C)C |r|
Structure:
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