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Reaction Details
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TargetHIV-1 Protease
LigandBDBM196
Substrate/Competitorfluorogenic peptide substrate
Meas. Tech.Protease Inhibition Assay
pH4.7±n/a
Temperature303.15±n/a K
Ki 4.5±n/a nM
Comments
Citation Erickson, JNeidhart, DJVanDrie, JKempf, DJWang, XCNorbeck, DWPlattner, JJRittenhouse, JWTuron, MWideburg, N Design, activity, and 2.8 A crystal structure of a C2 symmetric inhibitor complexed to HIV-1 protease. Science249:527-33 (1990) [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:n/a
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:HIV-1 Protease (NY5-type sequence)
Type:Enzyme Subunit
Mol. Mass.:10822.21
Organism:Human immunodeficiency virus type 1
Description:n/a
Residue:99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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Component 2
Name:HIV-1 Protease chain A
Synonyms:HIV-1 Protease (NY5-type sequence)
Type:Enzyme Subunit
Mol. Mass.:10822.21
Organism:Human immunodeficiency virus type 1
Description:n/a
Residue:99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYD
QILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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BDBM196
NameBDBM196
Synonyms:A-74704 | CHEMBL307193 | benzyl N-[(1S)-1-{[(2S,4S)-4-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanamido]-3-hydroxy-1,5-diphenylpentan-2-yl]carbamoyl}-2-methylpropyl]carbamate
Typen/a
Emp. Form.C43H52N4O7
Mol. Mass.736.8956
SMILESCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
fluorogenic peptide substrate
Name:fluorogenic peptide substrate
Synonyms:n/a
Type:fluorogenic peptide
Mol. Mass.:3550.86
Organism:n/a
Description:n/a
Residue:33
Sequence:
DABCYL-GABASer-Gln-Tyr-Pro-Ile-Val-Gln-EDANS