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Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM676
Substrate
HIV-1 Protease substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.5±n/a
Temperature
310.15±n/a K
IC50
49±n/a nM
Citation
 Chen, P; Cheng, PT; Alam, M; Beyer, BD; Bisacchi, GS; Dejneka, T; Evans, AJ; Greytok, JA; Hermsmeier, MA; Humphreys, WG; Jacobs, GA; Kocy, O; Lin, PF; Lis, KA; Marella, MA; Ryono, DE; Sheaffer, AK; Spergel, SH; Sun, CQ; Tino, JA; Vite, G; Colonno, RJ; Zahler, R; Barrish, JC Aminodiol HIV protease inhibitors. Synthesis and structure-activity relationships of P1/P1' compounds: correlation between lipophilicity and cytotoxicity. J Med Chem 39:1991-2007 (1996) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [489-587]
Synonyms:
HIV-1 Protease
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
HIV protease | HIV-1 Protease (NY5-type sequence) | HIV-1 Protease chain A | HIV-1 Protease chain B | POL_HV1N5 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10822.21
Organism:
Human immunodeficiency virus type 1
Description:
P12497[489-587]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [489-587]
Synonyms:
HIV protease | HIV-1 Protease (NY5-type sequence) | HIV-1 Protease chain A | HIV-1 Protease chain B | POL_HV1N5 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10822.21
Organism:
Human immunodeficiency virus type 1
Description:
P12497[489-587]
Residue:
99
Sequence:
PQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
  
Inhibitor
Name:
BDBM676
Synonyms:
BMS-186318 analog 13 | [1S-[1R*, 2S*(2S*, 3R*)]-[3-[[3-[[(1,1-Dimethylethoxy)-carbonyl]amino]-2-hydroxy-4-[4-(2-hydroxypropoxy)phenyl]butyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic Acid, 1,1-Dimethyl Ester | tert-butyl N-[(2S,3R)-4-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-4-[4-(2-hydroxypropoxy)phenyl]butyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
Type:
Small organic molecule
Emp. Form.:
C33H51N3O8
Mol. Mass.:
617.7733
SMILES:
CC(O)COc1ccc(C[C@H](NC(=O)OC(C)(C)C)[C@H](O)CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
HIV-1 Protease substrate
Synonyms:
HIV Protease Peptide Substrate
Type:
Peptide
Mol. Mass.:
4082.51
Organism:
n/a
Description:
n/a
Residue:
38
Sequence:
VALSERGLNASNETANAPHTHYLALANINEPRILEVAL