General Information of the Protein
Protein ID
PT00021
Protein Name
Protease
Gene Name
PROTEASE
Sequence
PQITLWQRPFVTIKIEGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGIGGFIKVRQYDQIVIEICGKKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
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Organism
Human immunodeficiency virus 1
Protein Classification
Enzyme
>
Protease
>
Cysteine protease
>
Cysteine protease PAC clan
>
Cysteine protease C3A subfamily
Uniprot ID
Q9YQ12
Map of Molecular Bioactivity Related to the Protein
Map of Molecular Bioactivity Related to the Protein

Protein
Cell Line
Compound

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Protein
Cell Line ID: CL000025 , HEK-293T
 Cell Line Info 
Compound ID Compound Name Compound Formula
CP0354600
 Compound Info 
(4R)-N-[(2,6-dimethylphenyl)methyl]-3-[(2S,3S)-2-hydroxy-3-[[(2S)-2-[(7-methoxy-1-benzofuran-2-carbonyl)amino]-2-[(3R)-oxolan-3-yl]acetyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
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C41H48N4O8S
  2
1
EC50 = 0.3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
EC50 = 1.21 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CP0013112
 Compound Info 
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate
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C27H37N3O7S
  2
1
EC50 = 12.66 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
EC50 = 112.08 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Cell Line ID: CL000247 , MT-4
 Cell Line Info 
Biochemical Assays
Compound ID Compound Name Compound Formula
CP0086074
 Compound Info 
Atazanavir
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C38H52N6O7
  5
1 IC50 = 0.3 nM
2 IC50 = 4 nM
3 Ki = 0.039 nM
4 Ki = 0.0479 nM
5 Ki = 0.05 nM
CP0126054
 Compound Info 
(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-N-[(2S,3S,4S)-4-[(2S)-1-[(2S)-2-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]pyrrolidin-2-yl]-3,4-dihydroxy-1-phenylbutan-2-yl]-3-methylbutanamide
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C50H64N8O8
  1
1 IC50 < 0.6 nM
CP0036175
 Compound Info 
1,3-thiazol-5-ylmethyl N-[(2S,3S,5S)-3-hydroxy-5-[(2S)-3-methyl-2-{[methyl({[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl})carbamoyl]amino}butanamido]-1,6-diphenylhexan-2-yl]carbamate
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C37H48N6O5S2
  5
1 IC50 = 0.6 nM
2 IC50 = 9850 nM
3 Ki = 0.034 nM
4 Ki = 0.098 nM
5 Ki = 0.314 nM
CP0064387
 Compound Info 
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-4-[(4-methoxybenzene)(2-methylpropyl)sulfonamido]-1-phenylbutan-2-yl]carbamate
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C28H38N2O8S
  2
1 IC50 = 1.4 nM
2 Ki = 0.014 nM
CP0013112
 Compound Info 
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate
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C27H37N3O7S
  10
1 IC50 = 3.8 nM
2 Kd = 0.016 nM
3 Ki = 0.01 nM
4 Ki = 0.014 nM
5 Ki = 0.016 nM
6 Ki = 0.34 nM
7 Ki = 0.5 nM
8 Ki = 9 nM
9 Ki = 18 nM
10 Ki = 22 nM
CP0080761
 Compound Info 
(2S)-N-[(2S,4S,5S)-5-[2-(2,6-dimethylphenoxy)acetamido]-4-hydroxy-1,6-diphenylhexan-2-yl]-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanamide
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C37H48N4O5
  4
1 IC50 = 25 nM
2 Ki = 0.014 nM
3 Ki = 0.016 nM
4 Ki = 0.0371 nM
CP0277151
 Compound Info 
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
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C28H36N2O9S
  2
1 Ki = 0.014 nM
2 Ki = 0.27 nM
CP0095094
 Compound Info 
(4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
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C32H37N3O5S
  2
1 Ki = 0.031 nM
2 Ki = 0.035 nM