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TargetHIV-1 Protease Mutant M3 (L10I, L63P, A71V, G73S, I84V, L90M)
LigandBDBM13934
Substrate/CompetitorHIV-1 Protease Substrate
Meas. Tech.Enzyme Inhibition Assay
Ki 0.49±n/a nM
Citation Reddy, GS; Ali, A; Nalam, MN; Anjum, SG; Cao, H; Nathans, RS; Schiffer, CA; Rana, TM Design and Synthesis of HIV-1 Protease Inhibitors Incorporating Oxazolidinones as P2/P2' Ligands in Pseudosymmetric Dipeptide Isosteres. J Med Chem50:4316-28 (2007) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
HIV-1 Protease Mutant M3 (L10I, L63P, A71V, G73S, I84V, L90M)
Name:HIV-1 Protease Mutant M3 (L10I, L63P, A71V, G73S, I84V, L90M)
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 Mutant M3 (L10I, L63P, A71V, G73S, I84V, L90M) chain A
Synonyms:HIV-1 Protease Mutant M3 (L10I, L63P, A71V, G73S, I84V, L90M) chain B
Type:Enzyme Subunit
Mol. Mass.:10869.31
Organism:Human immunodeficiency virus type 1
Description:O38732 mutant
Residue:99
Sequence:
PQITLWKRPIVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGIGGFIKVRQYD
QIPIEICGHKVISTVLVGPTPVNVIGRNLMTQIGCTLNF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:HIV-1 Protease Mutant M3 (L10I, L63P, A71V, G73S, I84V, L90M) chain A
Synonyms:HIV-1 Protease Mutant M3 (L10I, L63P, A71V, G73S, I84V, L90M) chain B
Type:Enzyme Subunit
Mol. Mass.:10869.31
Organism:Human immunodeficiency virus type 1
Description:O38732 mutant
Residue:99
Sequence:
PQITLWKRPIVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGIGGFIKVRQYD
QIPIEICGHKVISTVLVGPTPVNVIGRNLMTQIGCTLNF
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM13934
NameBDBM13934
Synonyms:Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 | Latazanavir | US10806794, Compound Atazanavir | methyl N-[(1S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenyl-butan-2-yl]carbamoyl]-2,2-dimethyl-propyl]carbamate | methyl N-[(1S)-1-{[(2S,3S)-3-hydroxy-4-[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethyl-N'-{[4-(pyridin-2-yl)phenyl]methyl}butanehydrazido]-1-phenylbutan-2-yl]carbamoyl}-2,2-dimethylpropyl]carbamate
TypeSmall organic molecule
Emp. Form.C38H52N6O7
Mol. Mass.704.8555
SMILESCOC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |r|
Structure
HIV-1 Protease Substrate
Name:HIV-1 Protease Substrate
Synonyms:n/a
Type:Peptide
Mol. Mass.:4728.18
Organism:n/a
Description:n/a
Residue:44
Sequence:
Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)-

Arg