Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetHuman immunodeficiency virus type 1 protease
LigandBDBM50010498
Substrate/Competitorn/a
Meas. Tech.ChEMBL_160732
IC50 420±n/a nM
Citation Krohn ARedshaw SRitchie JCGraves BJHatada MH Novel binding mode of highly potent HIV-proteinase inhibitors incorporating the (R)-hydroxyethylamine isostere. J Med Chem 34:3340-2 (1991) [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:
BDBM50010498
n/a
NameBDBM50010498
Synonyms:CHEMBL115376 | methyl 2-[1-(3-{2-carbamoyl-1-[1-(2-hydroxy-1-methylcarboxamidoethylcarboxamido)-3-methylbutylcarboxamido]ethylcarboxamido}-2-hydroxy-4-phenylbutyl)tetrahydro-1H-2-pyrrolylcarboxamido]-3-methylpentanoate
TypeSmall organic molecule
Emp. Form.C37H59N7O10
Mol. Mass.761.9053
SMILESCC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1CC(O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(C)=O)C(=O)OC
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: