Reaction Details
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Target
Dimer of Gag-Pol polyprotein [490-588,L523I,E525D,M526I,I544V,L553H,H559K,V572F,L579M]
Ligand
BDBM13934
Substrate
HIV Protease Chromogenic Peptide Substrate
Meas. Tech.
Protease Inhibition Assay
Ki
0.7±n/a nM
Citation
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More Info.:
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:
BDBM13934
Synonyms:
Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 | Latazanavir | US10806794, Compound Atazanavir | methyl N-[(1S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenyl-butan-2-yl]carbamoyl]-2,2-dimethyl-propyl]carbamate | methyl N-[(1S)-1-{[(2S,3S)-3-hydroxy-4-[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethyl-N'-{[4-(pyridin-2-yl)phenyl]methyl}butanehydrazido]-1-phenylbutan-2-yl]carbamoyl}-2,2-dimethylpropyl]carbamate
Type:
Small organic molecule
Emp. Form.:
C38H52N6O7
Mol. Mass.:
704.8555
SMILES:
COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |r|
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