Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM845
Substrate
n/a
Meas. Tech.
ChEMBL_158026 (CHEMBL768619)
Ki
0.3±n/a nM
Kd
21±n/a nM
KON
889000 M-1s-1
Citation
 Markgren, POSchaal, WHämäläinen, MKarlén, AHallberg, ASamuelsson, BDanielson, UH Relationships between structure and interaction kinetics for HIV-1 protease inhibitors. J Med Chem 45:5430-9 (2002) [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:
BDBM845
Synonyms:
(2R,3R,4R,5R)-2,5-bis[(4-bromophenyl)methoxy]-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]hexanediamide | C2-Symmetric inhibitor 3 | CHEMBL124139 | N1, N6-Bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-(2R,3R,4R,5R)-2,5-bis(4-bromobenzyloxy)-3,4-dihydroxy-hexanediamide
Type:
Small organic molecule
Emp. Form.:
C32H44Br2N4O8
Mol. Mass.:
772.522
SMILES:
CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(Br)cc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(Br)cc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Structure:
Search PDB for entries with ligand similarity: