Crystallization (Comment) | Organism |
---|---|
HIV-1 protease in complex with inhibitor tert-butyl N-[(1R,2S)-1-benzyl-3-[(4S)-7-fluoro-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]-2-hydroxypropyl]carbamate, hanging drop vapor diffusion method, in 0.5 M NaCl, acetate buffer, pH 5.5 | Human immunodeficiency virus 1 |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(5S)-N-[(1R,2S)-1-benzyl-3-[(4S)-7-fluoro-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]-2-hydroxypropyl]-2-oxo-3-phenyl-1,3-oxazolidine-5-carboxamide | - |
Human immunodeficiency virus 1 | |
allyl N-[(1R,2S)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]propyl]carbamate | - |
Human immunodeficiency virus 1 | |
darunavir | - |
Human immunodeficiency virus 1 | |
ethyl N-[(1R,2S)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]propyl]carbamate | - |
Human immunodeficiency virus 1 | |
phenyl N-[(1R,2S)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]propyl]carbamate | - |
Human immunodeficiency virus 1 | |
tert-butyl N-[(1R,2S)-1-benzyl-3-[(4S)-7-fluoro-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]-2-hydroxypropyl]carbamate | - |
Human immunodeficiency virus 1 | |
tert-butyl N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-7-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1lambda6,-2-benzothiazepin-2-yl]propyl]carbamate | - |
Human immunodeficiency virus 1 | |
tert-butyl N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1lambda6,-2-benzothiazepin-2-yl]propyl]carbamate | - |
Human immunodeficiency virus 1 | |
tert-butyl N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(4S)-7-methoxy-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]propyl]carbamate | - |
Human immunodeficiency virus 1 |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Human immunodeficiency virus 1 | - |
- |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
Val-Ser-Gln-Asn-(2-naphthylalanine)-Pro-Ile-Val + H2O | - |
Human immunodeficiency virus 1 | ? | - |
? |
Synonyms | Comment | Organism |
---|---|---|
HIV-1 protease | - |
Human immunodeficiency virus 1 |
Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
---|---|---|---|---|---|
0.000019 | - |
tert-butyl N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(4S)-7-methoxy-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]propyl]carbamate | in 50 mM sodium acetate, pH 5.5, 100 mM NaCl, 1 mg/ml bovine serum albumin, at 30°C | Human immunodeficiency virus 1 | |
0.00002 | - |
tert-butyl N-[(1R,2S)-1-benzyl-3-[(4S)-7-fluoro-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]-2-hydroxypropyl]carbamate | in 50 mM sodium acetate, pH 5.5, 100 mM NaCl, 1 mg/ml bovine serum albumin, at 30°C | Human immunodeficiency virus 1 | |
0.000027 | - |
allyl N-[(1R,2S)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]propyl]carbamate | in 50 mM sodium acetate, pH 5.5, 100 mM NaCl, 1 mg/ml bovine serum albumin, at 30°C | Human immunodeficiency virus 1 | |
0.000034 | - |
ethyl N-[(1R,2S)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]propyl]carbamate | in 50 mM sodium acetate, pH 5.5, 100 mM NaCl, 1 mg/ml bovine serum albumin, at 30°C | Human immunodeficiency virus 1 | |
0.0001 | - |
tert-butyl N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-8-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1lambda6,-2-benzothiazepin-2-yl]propyl]carbamate | in 50 mM sodium acetate, pH 5.5, 100 mM NaCl, 1 mg/ml bovine serum albumin, at 30°C | Human immunodeficiency virus 1 | |
0.000186 | - |
tert-butyl N-[(1S,2R)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-7-(trifluoromethyl)-1,3,4,5-tetrahydro-2H-1lambda6,-2-benzothiazepin-2-yl]propyl]carbamate | in 50 mM sodium acetate, pH 5.5, 100 mM NaCl, 1 mg/ml bovine serum albumin, at 30°C | Human immunodeficiency virus 1 | |
0.00035 | - |
phenyl N-[(1R,2S)-1-benzyl-2-hydroxy-3-[(4S)-4-methyl-1,1-dioxo-1,3,4,5-tetrahydro-2H-1lambda6,2-benzothiazepin-2-yl]propyl]carbamate | in 50 mM sodium acetate, pH 5.5, 100 mM NaCl, 1 mg/ml bovine serum albumin, at 30°C | Human immunodeficiency virus 1 |