Reaction Details Report a problem with these data
Target
Dimer of Gag-Pol polyprotein [490-588,L523I,E525D,M526I,I544V,L553H,H559K,V572F,L579M]
Ligand
BDBM518
Substrate
HIV Protease Chromogenic Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
Ki
146±n/a nM
Citation
 Clemente, JC; Coman, RM; Thiaville, MM; Janka, LK; Jeung, JA; Nukoolkarn, S; Govindasamy, L; Agbandje-McKenna, M; McKenna, R; Leelamanit, W; Goodenow, MM; Dunn, BM Analysis of HIV-1 CRF_01 A/E protease inhibitor resistance: structural determinants for maintaining sensitivity and developing resistance to atazanavir. Biochemistry 45:5468-77 (2006) [PubMed]  Article 
Target
Name:
Dimer of Gag-Pol polyprotein [490-588,L523I,E525D,M526I,I544V,L553H,H559K,V572F,L579M]
Synonyms:
HIV-1 Protease AE-P | HIV-1 Protease AE-P (V3I, L10I, I13V, L33I, E35D, M36I, S37N, R41K, I54V, L63H, H69K, V82F, L89M) | Post-therapy HIV-1 CRF_01 A/E protease
Type:
Protein Complex
Mol. Mass.:
n/a
Description:
HIV-1 protease DNA for all the HIV B and AE variants was cloned, and protein was expressed and purified from Escherichia coli strain BL21.
Components:
This complex has 2 components.
Component 1
Name:
Gag-Pol polyprotein [490-588,L523I,E525D,M526I,I544V,L553H,H559K,V572F,L579M]
Synonyms:
HIV-1 Protease AE-P Chain A | HIV-1 Protease AE-P Chain B | POL_HV1RH | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10816.18
Organism:
Human immunodeficiency virus type 1
Description:
P05959[490-588,L523I,E525D,M526I,I544V,L553H,H559K,V572F,L579M]
Residue:
99
Sequence:
PQITLWQRPIVTVKIGGQLKEALLDTGADDTVIEDINLPGKWKPKMIGGIGGFVKVRQYDQIHIEICGKKAIGTVLVGPTPFNIIGRNMLTQIGCTLNF
  
Component 2
Name:
Gag-Pol polyprotein [490-588,L523I,E525D,M526I,I544V,L553H,H559K,V572F,L579M]
Synonyms:
HIV-1 Protease AE-P Chain A | HIV-1 Protease AE-P Chain B | POL_HV1RH | gag-pol
Type:
Enzyme Subunit
Mol. Mass.:
10816.18
Organism:
Human immunodeficiency virus type 1
Description:
P05959[490-588,L523I,E525D,M526I,I544V,L553H,H559K,V572F,L579M]
Residue:
99
Sequence:
PQITLWQRPIVTVKIGGQLKEALLDTGADDTVIEDINLPGKWKPKMIGGIGGFVKVRQYDQIHIEICGKKAIGTVLVGPTPFNIIGRNMLTQIGCTLNF
  
Inhibitor
Name:
BDBM518
Synonyms:
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-(phenylsulfanyl)butyl]-decahydroisoquinoline-3-carboxamide | AG-1343 | CHEMBL584 | Nelfinavir | Viracept
Type:
Small organic molecule
Emp. Form.:
C32H45N3O4S
Mol. Mass.:
567.782
SMILES:
Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C |@@:23|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
HIV Protease Chromogenic Peptide Substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
1420.11
Organism:
n/a
Description:
n/a
Residue:
13
Sequence:
KARVLNPHEANLG