Reaction Details  Report a problem with these data
Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM810
Substrate
n/a
Meas. Tech.
ChEMBL_157736 (CHEMBL765174)
Ki
0.12±n/a nM
Citation
 Tamamura, H; Koh, Y; Ueda, S; Sasaki, Y; Yamasaki, T; Aoki, M; Maeda, K; Watai, Y; Arikuni, H; Otaka, A; Mitsuya, H; Fujii, N Reduction of peptide character of HIV protease inhibitors that exhibit nanomolar potency against multidrug resistant HIV-1 strains. J Med Chem 46:1764-8 (2003) [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:
BDBM810
Synonyms:
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[(2S)-2-methanesulfonamido-3-(naphthalene-2-sulfinyl)propanamido]-4-phenylbutyl]-decahydroisoquinoline-3-carboxamide | CHEMBL49002 | Saquinavir/Nelfinavir deriv. 14
Type:
Small organic molecule
Emp. Form.:
C38H52N4O6S2
Mol. Mass.:
724.973
SMILES:
[H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)c1ccc3ccccc3c1)NS(C)(=O)=O)[C@@H](C2)C(=O)NC(C)(C)C |r|
Structure:
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