Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHuman immunodeficiency virus type 1 protease
LigandBDBM855
Substrate/Competitorn/a
Meas. Tech.ChEMBL_158026
Ki 0.3±n/a nM
Kd 18±n/a nM
KON 29300 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]
More Info.:Get all data from this article,  Assay Method
 
Human immunodeficiency virus type 1 protease
Name:Human immunodeficiency virus type 1 protease
Synonyms:Pol polyprotein
Type:Enzyme Subunit
Mol. Mass.:10781.16
Organism:Human immunodeficiency virus type 1
Description:n/a
Residue:99
Sequence:
PQVTLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM855
n/a
NameBDBM855
Synonyms:(2R,3R,4R,5R)-3,4-dihydroxy-2,5-bis({[4-(2-hydroxy-3-oxocyclohex-1-en-1-yl)phenyl]methoxy})-N,N'-bis[(1S)-2-methyl-1-(methylcarbamoyl)propyl]hexanediamide | C2-Symmetric inhibitor 13 | CHEMBL338428 | N1,N6-Bis[(1S)-2-methyl-1-(methylcarbamoyl)pro-pyl](2R,3R,4R,5R)-2,5-bis[4-(3-cyclohexane-1,2-dionyl)benzyloxy]-3,4-dihydroxyhexanediamide
TypeSmall organic molecule
Emp. Form.C44H58N4O12
Mol. Mass.834.9509
SMILESCNC(=O)[C@@H](NC(=O)[C@H](OCc1ccc(cc1)C1CCCC(=O)C1=O)[C@H](O)[C@@H](O)[C@@H](OCc1ccc(cc1)C1CCCC(=O)C1=O)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: