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Target
Dimer of Gag-Pol polyprotein [489-587]
Ligand
BDBM918
Substrate
HIV-1 Protease substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.5±n/a
Temperature
310.15±n/a K
IC50
100±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:
BDBM918
Synonyms:
(1S-(1R*,2S*(2S,3R*)))-[3-[[3-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-hydroxy-4-(4-hydroxyphenyl)butyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]carbamic Acid, 1,1-Dimethylethyl Ester | Aminodiol deriv. 15b | BMS-186318 analog 4 | tert-butyl N-[(2S,3R)-4-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-4-(4-hydroxyphenyl)butyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
Type:
Small organic molecule
Emp. Form.:
C30H45N3O7
Mol. Mass.:
559.6942
SMILES:
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@H](Cc1ccc(O)cc1)NC(=O)OC(C)(C)C |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