Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM955
Substrate
n/a
Meas. Tech.
ChEMBL_159137 (CHEMBL859312)
Ki
10.2±n/a nM
Citation
 Kroemer, RTEttmayer, PHecht, P 3D-quantitative structure-activity relationships of human immunodeficiency virus type-1 proteinase inhibitors: comparative molecular field analysis of 2-heterosubstituted statine derivatives-implications for the design of novel inhibitors. J Med Chem 38:4917-28 (1996) [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:
BDBM955
Synonyms:
(2R,3R,4S)-2-(benzylamino)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]-3-hydroxy-4-[(2S)-3-methyl-2-(quinolin-2-ylformamido)butanamido]-5-phenylpentanamide | 5PhBuCOOH deriv. | Statine deriv. 38 | Tle-Val-Sta
Type:
Small organic molecule
Emp. Form.:
C45H52N6O5
Mol. Mass.:
756.9316
SMILES:
CC(C)[C@H](NC(=O)[C@H](NCc1ccccc1)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccc2ccccc2n1)C(C)C)C(=O)NCc1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: