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Reaction Details
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TargetHIV-1 Protease
LigandBDBM4215
Substrate/CompetitorHIV Protease Peptide Substrate
Meas. Tech.Protease Inhibition Assay
pH4.7±n/a
Temperature310.15±n/a K
Ki 57.5±n/a nM
Citation Komai, THigashida, SSakurai, MNitta, TKasuya, AMiyamaoto, SYagi, ROzawa, YHanda, HMohri, HYasuoka, AOka, SNishigaki, TKimura, SShimada, KYabe, Y Structure-activity relationships of HIV-1 PR inhibitors containing AHPBA--II. Modification of pyrrolidine ring at P1' proline. Bioorg Med Chem4:1365-77 (1996) [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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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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  Blast E-value cutoff:
BDBM4215
NameBDBM4215
Synonyms:AHPBA 1a | benzyl N-[(1S)-1-{[(2S,3S)-4-[(2S)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl]carbamoyl}-2-carbamoylethyl]carbamate
TypeSmall organic molecule
Emp. Form.C31H41N5O7
Mol. Mass.595.6865
SMILESCC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
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