Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHuman immunodeficiency virus type 1 protease
LigandBDBM50091606
Substrate/Competitorn/a
Meas. Tech.ChEMBL_159321
IC50 0.11±n/a nM
Citation Dorsey BDMcDonough CMcDaniel SLLevin RBNewton CLHoffman JMDarke PLZugay-Murphy JAEmini EASchleif WAOlsen DBStahlhut MWRutkowski CAKuo LCLin JHChen IWMichelson SRHolloway MKHuff JRVacca JP Identification of MK-944a: a second clinical candidate from the hydroxylaminepentanamide isostere series of HIV protease inhibitors. J Med Chem 43:3386-99 (2000) [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:
BDBM50091606
n/a
NameBDBM50091606
Synonyms:1-[2-Hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-phenyl-pentyl]-4-(3-methyl-benzofuran-2-ylmethyl)-piperazine-2-carboxylic acid tert-butylamide | CHEMBL331155
TypeSmall organic molecule
Emp. Form.C40H50N4O5
Mol. Mass.666.8488
SMILESCc1c(CN2CCN(CC(O)CC(Cc3ccccc3)C(=O)NC3C(O)Cc4ccccc34)C(C2)C(=O)NC(C)(C)C)oc2ccccc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: