Target
Gag-Pol polyprotein [489-587]
Ligand
BDBM848
Substrate
n/a
Meas. Tech.
ChEMBL_158026 (CHEMBL768619)
Ki
1.2±n/a nM
Kd
3.0±n/a nM
KON
348000 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:
BDBM848
Synonyms:
(2R,3R,4R,5R)-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-2,5-bis({[4-(thiophen-3-yl)phenyl]methoxy})hexanediamide | C2-Symmetric inhibitor 6 | CHEMBL127214 | N1,N6-Bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]-(2R,3R,4R,5R)-2,5-bis[4-(3-thienyl)benzyloxy]-3,4-dihydroxyhexanediamide | symmetric/asymmetric inhibitor 7
Type:
Small organic molecule
Emp. Form.:
C40H50N4O8S2
Mol. Mass.:
778.977
SMILES:
CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)-c1ccsc1)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)-c1ccsc1)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Structure:
Search PDB for entries with ligand similarity: