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TargetHIV-1 Protease
LigandBDBM4156
Substrate/CompetitorHIV Protease Peptide Substrate
Meas. Tech.Protease Inhibition Assay
IC50 8.6±n/a nM
Citation Takashiro, EHayakawa, INitta, TKasuya, AMiyamoto, SOzawa, YYagi, RYamamoto, IShibayama, TNakagawa, AYabe, Y Structure-activity relationship of HIV-1 protease inhibitors containing alpha-hydroxy-beta-amino acids. Detailed study of P1 site. Bioorg Med Chem7:2063-72 (1999) [PubMed]  Article
More Info.:Get all data from this article,   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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  Blast E-value cutoff:
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM4156
NameBDBM4156
Synonyms:(2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2,4-dimethylphenyl)formamido]-4-(4-methylphenyl)butanoyl]pyrrolidine-2-carboxamide | (3-Hydroxy-2,4-dimethylbenzoyl)-(2(S)-hydroxy-3(S)-amino-4-p-tolylbutanoyl)-4(S)-Cl-Pro-NH-t-Bu | AHPBA deriv. 41 | CHEMBL117024
TypeSmall organic molecule
Emp. Form.C29H38ClN3O5
Mol. Mass.544.082
SMILESCc1ccc(C[C@H](NC(=O)c2ccc(C)c(O)c2C)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)cc1 |r|
Structure
HIV Protease Peptide Substrate
Name:HIV Protease Peptide Substrate
Synonyms:n/a
Type:Peptide
Mol. Mass.:2686.50
Organism:n/a
Description:n/a
Residue:24
Sequence:
Ac-Ser-Gln-Asn-Tyr-Pro-Ile-Val-NH2