Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,G539V,I545V,V555I,V573A]
Ligand
BDBM520
Substrate
HIV-1 Protease Substrate
Meas. Tech.
Enzyme Inhibition Assay
Ki
3.025±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 Chem 50:4316-28 (2007) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [491-589,Q498K,L501I,G539V,I545V,V555I,V573A]
Synonyms:
HIV-1 Protease Mutant M1 (L10I, G48V, I54V, L63P, V82A)
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [491-589,Q498K,L501I,G539V,I545V,V555I,V573A]
Synonyms:
HIV-1 Protease Mutant M1 (Q7K,L10I, G48V, I54V, V63I, V82A) chain A | HIV-1 Protease Mutant M1 (Q7K,L10I, G48V, I54V, V63I, V82A) chain B | POL_HV1A2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10807.22
Organism:
Human immunodeficiency virus type 1
Description:
P03369[491-589,Q498K,L501I,G539V,I545V,V555I,V573A]
Residue:
99
Sequence:
PQITLWKRPIVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIVGIGGFVKVRQYDQIPIEICGHKAIGTVLVGPTPANIIGRNLLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [491-589,Q498K,L501I,G539V,I545V,V555I,V573A]
Synonyms:
HIV-1 Protease Mutant M1 (Q7K,L10I, G48V, I54V, V63I, V82A) chain A | HIV-1 Protease Mutant M1 (Q7K,L10I, G48V, I54V, V63I, V82A) chain B | POL_HV1A2 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10807.22
Organism:
Human immunodeficiency virus type 1
Description:
P03369[491-589,Q498K,L501I,G539V,I545V,V555I,V573A]
Residue:
99
Sequence:
PQITLWKRPIVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIVGIGGFVKVRQYDQIPIEICGHKAIGTVLVGPTPANIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM520
Synonyms:
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[(2S)-3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanamido]-1,6-diphenylhexan-2-yl]carbamate | ABT-538 | CHEMBL163 | Norvir | RTV | Ritonavir
Type:
Small organic molecule
Emp. Form.:
C37H48N6O5S2
Mol. Mass.:
720.944
SMILES:
CC(C)[C@H](NC(=O)N(C)Cc1csc(n1)C(C)C)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
HIV-1 Protease Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
4728.18
Organism:
n/a
Description:
n/a
Residue:
44
Sequence:
ARGGLEDANSSERGLNASNTYRPRILEVALGLNLYSDACYLARG