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Reaction Details
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TargetHIV-1 Protease
LigandBDBM179
Substrate/CompetitorFluorescent peptide substrate
Meas. Tech.Protease Inhibition Assay
pH5.5±n/a
Temperature310.15±n/a K
Ki 0.031±n/a nM
Citation Lam, PYRu, YJadhav, PKAldrich, PEDeLucca, GVEyermann, CJChang, CHEmmett, GHoller, ERDaneker, WFLi, LConfalone, PNMcHugh, RJHan, QLi, RMarkwalder, JASeitz, SPSharpe, TRBacheler, LTRayner, MMKlabe, RMShum, LWinslow, DLKornhauser, DMHodge, CN Cyclic HIV protease inhibitors: synthesis, conformational analysis, P2/P2' structure-activity relationship, and molecular recognition of cyclic ureas. J Med Chem39:3514-25 (1996) [PubMed]  Article
More Info.:Get all data from this article,  Inhibition_Run data,   Solution Info,  Assay Method
 
HIV-1 Protease
Name:HIV-1 Protease
Synonyms:HIV-1 Protease, recombinant, isolate HXB2
Type:Protein Complex
Mol. Mass.:n/a
Description:n/a
Components:This complex has 2 components.
Component 1
Name:HIV-1 Protease chain A
Synonyms:BRU isolated | HIV-1 Protease B Subtype Chain A | HIV-1 Protease B Subtype Chain B | LAI(Wild type) | Protease Retropepsin
Type:Enzyme Subunit
Mol. Mass.:10795.19
Organism:Human immunodeficiency virus type 1
Description:n/a
Residue:99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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Component 2
Name:HIV-1 Protease chain A
Synonyms:BRU isolated | HIV-1 Protease B Subtype Chain A | HIV-1 Protease B Subtype Chain B | LAI(Wild type) | Protease Retropepsin
Type:Enzyme Subunit
Mol. Mass.:10795.19
Organism:Human immunodeficiency virus type 1
Description:n/a
Residue:99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM179
NameBDBM179
Synonyms:(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({3-[1-(hydroxyimino)propyl]phenyl}methyl)-1,3-diazepan-2-one | CHEMBL303128 | Cyclic Urea
Typen/a
Emp. Form.C39H44N4O5
Mol. Mass.648.7905
SMILESCCC(N=O)c1cccc(CN2[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@@H](Cc3ccccc3)N(Cc3cccc(c3)C(CC)N=O)C2=O)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
Fluorescent peptide substrate
Name:Fluorescent peptide substrate
Synonyms:n/a
Type:Peptide
Mol. Mass.:4608.75
Organism:n/a
Description:n/a
Residue:42
Sequence:
2-aminobenzoyl-Ala-Thr-His-Gln-Val-Tyr-Phe(NO2)-Val-Arg-Lys-
Ala