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Target
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,M535I,I543V,Q547E,L552P,I553V,V566I,V571F,I573V,L579M,I582L]
Ligand
BDBM9143
Substrate
HIV Protease Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
pH
5.5±n/a
Temperature
303.15±n/a K
IC50
0.6±n/a nM
Citation
 Duffy, JL; Rano, TA; Kevin, NJ; Chapman, KT; Schleif, WA; Olsen, DB; Stahlhut, M; Rutkowski, CA; Kuo, LC; Jin, L; Lin, JH; Emini, EA; Tata, JR HIV protease inhibitors with picomolar potency against PI-Resistant HIV-1 by extension of the P3 substituent. Bioorg Med Chem Lett 13:2569-72 (2003) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [489-587,Q496K,L499I,M535I,I543V,Q547E,L552P,I553V,V566I,V571F,I573V,L579M,I582L]
Synonyms:
HIV-1 Protease Mutant (L10I/M46I/I54V/Q58E/L63P/I64V/V77I/V82F/I84V/L90M/I93L) | HIV-1 Protease Mutant K-60C
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [489-587,Q496K,L499I,M535I,I543V,Q547E,L552P,I553V,V566I,V571F,I573V,L579M,I582L]
Synonyms:
HIV-1 Protease Mutant K-60C Chain A | HIV-1 Protease Mutant K-60C Chain B | POL_HV1N5 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10827.19
Organism:
Human immunodeficiency virus type 1
Description:
L10I,M46I,I54V,Q58E,L63P,I64V,V77I,V82F,I84V,L90M,I93L
Residue:
99
Sequence:
PQITLWKRPIVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKIIGGIGGFVKVREYDQIPVEICGHKAIGTVLIGPTPFNVIGRNLMTQLGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [489-587,Q496K,L499I,M535I,I543V,Q547E,L552P,I553V,V566I,V571F,I573V,L579M,I582L]
Synonyms:
HIV-1 Protease Mutant K-60C Chain A | HIV-1 Protease Mutant K-60C Chain B | POL_HV1N5 | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10827.19
Organism:
Human immunodeficiency virus type 1
Description:
L10I,M46I,I54V,Q58E,L63P,I64V,V77I,V82F,I84V,L90M,I93L
Residue:
99
Sequence:
PQITLWKRPIVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKIIGGIGGFVKVREYDQIPVEICGHKAIGTVLIGPTPFNVIGRNLMTQLGCTLNF
  
Inhibitor
Name:
BDBM9143
Synonyms:
(2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(3S,4S)-3-hydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]carbamoyl}butyl]-4-{[5-(pyridin-4-yl)furan-2-yl]methyl}-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide | P3 biaryl pyridylfuran analog 4
Type:
Small organic molecule
Emp. Form.:
C38H42F3N5O6
Mol. Mass.:
721.7652
SMILES:
O[C@@H](C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)COc2ccccc12)CN1CCN(Cc2ccc(o2)-c2ccncc2)C[C@H]1C(=O)NCC(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
HIV Protease Peptide Substrate
Synonyms:
HIV Protease Substrate
Type:
Peptide
Mol. Mass.:
2715.95
Organism:
n/a
Description:
n/a
Residue:
25
Sequence:
VSQNETANAPHTHYLALANINEPIV