BDBM519 (2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylformamido)butanediamide::CHEMBL114::Fortovase::Invirase::Ro 31-8959::SQV::Saquinavir
SMILES: [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C
InChI Key: InChIKey=QWAXKHKRTORLEM-UGJKXSETSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.0400 | -14.2 | n/a | n/a | n/a | n/a | n/a | 6.4 | 25 |
GlaxoSmithKline | Assay Description The Ki values were determined using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-ArgNH2. A standard curve relating changes in f... | Bioorg Med Chem Lett 10: 1159-62 (2000) Article DOI: 10.1016/s0960-894x(00)00163-3 BindingDB Entry DOI: 10.7270/Q2X63K5G | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.0620 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Dissociation constant obtained by inhibition of Wild-type protease | J Med Chem 43: 3386-99 (2000) Article DOI: 10.1021/jm9903848 BindingDB Entry DOI: 10.7270/Q23J3DP4 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 protease (Human immunodeficiency virus) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Maryland | Assay Description Inhibition assay using HIV protease and Sulfonamide compounds. | Chem Biol Drug Des 69: 298-313 (2007) Article DOI: 10.1111/j.1747-0285.2007.00514.x BindingDB Entry DOI: 10.7270/Q2TQ6011 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Products Ltd Curated by ChEMBL | Assay Description The compound was tested for binding activity against HIV-1 protease | J Med Chem 34: 3340-2 (1991) Article DOI: 10.1021/jm00115a028 BindingDB Entry DOI: 10.7270/Q2B858Q3 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Products Ltd Curated by ChEMBL | Assay Description Binding activity against HIV-1 Protease | J Med Chem 34: 3340-2 (1991) Article DOI: 10.1021/jm00115a028 BindingDB Entry DOI: 10.7270/Q2B858Q3 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ciba-Geigy Corporation Curated by ChEMBL | Assay Description Binding affinity to HIV-1 protease | J Med Chem 37: 1769-78 (1994) Checked by Author Article DOI: 10.1021/jm00038a006 BindingDB Entry DOI: 10.7270/Q2BV7J4D | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 protease (Human immunodeficiency virus) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | 5.5 | n/a |
DuPont Pharmaceuticals Company | Assay Description Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease. | Chem Biol 5: 597-608 (1998) Article DOI: 10.1124/jpet.104.066092 BindingDB Entry DOI: 10.7270/Q2R78CK2 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University Curated by ChEMBL | Assay Description Inhibitory activity of the compound against HIV-1 protease | J Med Chem 46: 1764-8 (2003) Article DOI: 10.1021/jm020537i BindingDB Entry DOI: 10.7270/Q2805218 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Inhibition constant for human immunodeficiency virus type 1 protease | J Med Chem 47: 5953-61 (2004) Article DOI: 10.1021/jm0499110 BindingDB Entry DOI: 10.7270/Q2FQ9XDV | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.230 | n/a | n/a | 0.315 | n/a | n/a | 8.17E+5 | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease | J Med Chem 45: 5430-9 (2002) Article DOI: 10.1021/jm0208370 BindingDB Entry DOI: 10.7270/Q2GH9JP4 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description Affinity of the compound against HIV protease | J Med Chem 40: 4079-88 (1998) Article DOI: 10.1021/jm970288b BindingDB Entry DOI: 10.7270/Q2XS5TG1 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description Inhibitory activity against HIV-1 protease | J Med Chem 39: 4299-312 (1996) Article DOI: 10.1021/jm9602773 BindingDB Entry DOI: 10.7270/Q2T152QJ | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Pharmaceuticals Company Curated by ChEMBL | Assay Description Binding affinity to inhibit the purified wild-type HIV-1 Protease | J Med Chem 40: 181-91 (1997) Article DOI: 10.1021/jm960586t BindingDB Entry DOI: 10.7270/Q2ST7NZ3 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease AE Mutant (V82F) (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article | 0.452 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against P2 site in HIV protease. | Bioorg Med Chem Lett 6: 585-588 (1996) Article DOI: 10.1016/0960-894X(96)00086-8 BindingDB Entry DOI: 10.7270/Q2KH0N9Z | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.463 | -12.7 | n/a | n/a | n/a | n/a | n/a | 5.0 | 25 |
The Johns Hopkins University | Assay Description Protease activity was determined by following the increase in fluorescence with hydrolysis of the fluorogenic substrate Arg-Glu(EDANS)-Ser-Gln-Asn-Ty... | Biochemistry 42: 631-8 (2003) Article DOI: 10.1021/bi027019u BindingDB Entry DOI: 10.7270/Q2668BB6 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease B Subtype Mutant (V82F) (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.520 | -13.2 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.900 | -12.8 | n/a | n/a | n/a | n/a | n/a | 5.6 | 37 |
Agouron Pharmaceuticals Inc | Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu-(p-NO2-Phe)-Glu-Ala-Nleu-Ser was use... | J Med Chem 39: 2795-811 (1996) Article DOI: 10.1021/jm960092w BindingDB Entry DOI: 10.7270/Q2028PRG | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.900 | -12.8 | n/a | n/a | n/a | n/a | n/a | 5.6 | 37 |
Agouron Pharmaceuticals Inc | Assay Description Protease activity was measured by continuous chromogenic assay. The chromogenic peptide His-Lys-Ala-Arg-Val-Leu- (p-NO2-Phe)-Glu-Ala-Nleu-Ser (Bache... | Proc Natl Acad Sci U S A 92: 3298-302 (1995) Article DOI: 10.1073/pnas.92.8.3298 BindingDB Entry DOI: 10.7270/Q2F769RX | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease Mutant M2 (D30N, L63P, N88D) (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 1.03 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease B Subtype (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 1.30 | -12.6 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago Curated by ChEMBL | Assay Description Compound was evaluated for binding affinity against HIV protease | Bioorg Med Chem Lett 8: 979-82 (1999) Article DOI: 10.1016/s0960-894x(98)00139-5 BindingDB Entry DOI: 10.7270/Q2D79BXD | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease AE (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 1.80 | -12.4 | n/a | n/a | n/a | n/a | n/a | 4.7 | 37 |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease Mutant, A-1 (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 2 | -11.9 | n/a | n/a | n/a | n/a | n/a | 5.0 | 25 |
The Johns Hopkins University | Assay Description Protease activity was determined by following the increase in fluorescence with hydrolysis of the fluorogenic substrate Arg-Glu(EDANS)-Ser-Gln-Asn-Ty... | Biochemistry 42: 631-8 (2003) Article DOI: 10.1021/bi027019u BindingDB Entry DOI: 10.7270/Q2668BB6 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Dissociation constant obtained by inhibition of mutant HIV-protease (K-60) | J Med Chem 43: 3386-99 (2000) Article DOI: 10.1021/jm9903848 BindingDB Entry DOI: 10.7270/Q23J3DP4 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Dissociation constant obtained by inhibition of mutant HIV-protease (A-44) | J Med Chem 43: 3386-99 (2000) Article DOI: 10.1021/jm9903848 BindingDB Entry DOI: 10.7270/Q23J3DP4 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease AE-P (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease AE-P Mutant (F82V) (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 48 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical | Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe... | Biochemistry 45: 5468-77 (2006) Article DOI: 10.1021/bi051886s BindingDB Entry DOI: 10.7270/Q2QF8R33 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease Mutant M3 (L10I, L63P, A71V, G73S, I84V, L90M) (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 78.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease Mutant M1 (L10I, G48V, I54V, L63P, V82A) (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 89.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Massachusetts Medical School | Assay Description HIV-1 protease inhibitor activities were determined by the fluorescence resonance energy transfer (FRET) method. The energy transfer donor (EDANS) an... | J Med Chem 50: 4316-28 (2007) Article DOI: 10.1021/jm070284z BindingDB Entry DOI: 10.7270/Q2W37TKX | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 117 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Dissociation constant obtained by inhibition of mutant HIV-protease (V-18) | J Med Chem 43: 3386-99 (2000) Article DOI: 10.1021/jm9903848 BindingDB Entry DOI: 10.7270/Q23J3DP4 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cytochrome P450 3A (Homo sapiens (Human)) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc Curated by ChEMBL | Assay Description Mechanism based inhibition of human cytochrome P450 3A4 measured by testosterone hydroxylation | Curr Drug Metab 6: 413-54 (2005) Article DOI: 10.2174/138920005774330639 BindingDB Entry DOI: 10.7270/Q2VQ33X3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A (Homo sapiens (Human)) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc Curated by ChEMBL | Assay Description Time dependent inhibition of CYP3A4-mediated testosterone-6-beta hydroxylation in human liver microsome | J Med Chem 55: 4896-933 (2012) Article DOI: 10.1021/jm300065h BindingDB Entry DOI: 10.7270/Q2PG1SVR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease Mutant, NAM-10 (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | MMDB B.MOAD GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 755 | -8.35 | n/a | n/a | n/a | n/a | n/a | 5.0 | 25 |
The Johns Hopkins University | Assay Description Protease activity was determined by following the increase in fluorescence with hydrolysis of the fluorogenic substrate Arg-Glu(EDANS)-Ser-Gln-Asn-Ty... | Biochemistry 42: 631-8 (2003) Article DOI: 10.1021/bi027019u BindingDB Entry DOI: 10.7270/Q2668BB6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease Mutant, ANAM-11 (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | MMDB B.MOAD GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 1.95E+3 | -7.78 | n/a | n/a | n/a | n/a | n/a | 5.0 | 25 |
The Johns Hopkins University | Assay Description Protease activity was determined by following the increase in fluorescence with hydrolysis of the fluorogenic substrate Arg-Glu(EDANS)-Ser-Gln-Asn-Ty... | Biochemistry 42: 631-8 (2003) Article DOI: 10.1021/bi027019u BindingDB Entry DOI: 10.7270/Q2668BB6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 8.40 | n/a | n/a | n/a | n/a | 5.5 | 37 |
Boehringer Ingelheim Pharmaceuticals Inc | Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. Cleavage products and substrate w... | J Med Chem 43: 1094-108 (2000) Article DOI: 10.1021/jm990336n BindingDB Entry DOI: 10.7270/Q2BZ647F | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 11.2 | n/a | n/a | n/a | n/a | n/a | 37 |
Glaxo Group Research Ltd. | Assay Description IC50 values were obtained by assaying the enzyme against the synthetic substrate peptide KQGTVSFNFPQIT, which was tritiated at the proline residue, a... | J Med Chem 36: 3120-8 (1993) Article DOI: 10.1021/jm00073a011 BindingDB Entry DOI: 10.7270/Q24F1NXP | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | 5.5 | 30 |
Merck Research Laboratories | Assay Description Sensitivity of HIV-1 protease activity to protease inhibitors was determined by a peptide substrate cleavage assay. The products were analyzed by usi... | J Med Chem 36: 2300-10 (1993) Article DOI: 10.1021/jm00068a006 BindingDB Entry DOI: 10.7270/Q28G8HX8 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 16 | n/a | n/a | n/a | n/a | 6.4 | 25 |
Purdue University | Assay Description The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar... | J Med Chem 51: 6021-33 (2008) Article DOI: 10.1021/jm8004543 BindingDB Entry DOI: 10.7270/Q2G15Z51 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Gag polyprotein (Human immunodeficiency virus type 1 group M subtyp...) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 13.1 | n/a | n/a | n/a | n/a | 6.5 | n/a |
DuPont Pharmaceuticals Company | Assay Description Enzyme inhibition assay using cyclic ureas to inhibit GAG polyprotein. | Chem Biol 5: 597-608 (1998) Article DOI: 10.1124/jpet.104.066092 BindingDB Entry DOI: 10.7270/Q2R78CK2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | n/a | n/a | n/a | 0.000227 | n/a | n/a | n/a |
Uppsala University Curated by ChEMBL | Assay Description Association rate constant for the interaction between inhibitor and HIV-1 protease | J Med Chem 45: 5430-9 (2002) Article DOI: 10.1021/jm0208370 BindingDB Entry DOI: 10.7270/Q2GH9JP4 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Compound was evaluated in vitro for the inhibition of HIV protease, using a peptide hydrolysis assay | J Med Chem 35: 2525-33 (1992) Article DOI: 10.1021/jm00092a002 BindingDB Entry DOI: 10.7270/Q2PC31C3 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University Curated by ChEMBL | Assay Description Inhibitory potency against HIV-1 protease | J Med Chem 36: 4152-60 (1994) Article DOI: 10.1021/jm00078a003 BindingDB Entry DOI: 10.7270/Q2PK0HCT | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Research and Development Limited Curated by ChEMBL | Assay Description In vitro inhibitory activity against HIV proteinase | J Med Chem 37: 3707-16 (1994) Article DOI: 10.1021/jm00048a007 BindingDB Entry DOI: 10.7270/Q2V40T88 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Curated by ChEMBL | Assay Description Inhibitory activity against HIV-1 protease using scintillation proximity assay (SPA assay) | Bioorg Med Chem Lett 8: 931-4 (1999) Article DOI: 10.1016/s0960-894x(98)00144-9 BindingDB Entry DOI: 10.7270/Q2765DG0 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory concentration required against HIV-1 protease | Bioorg Med Chem Lett 5: 2885-2890 (1995) Article DOI: 10.1016/0960-894X(95)00506-O BindingDB Entry DOI: 10.7270/Q2930T45 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro inhibition of HIV-1 protease. | Bioorg Med Chem Lett 5: 2891-2896 (1995) Article DOI: 10.1016/0960-894X(95)00507-P BindingDB Entry DOI: 10.7270/Q25D8RT6 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Concentration required for inhibitory activity against HIV-1 Protease | Bioorg Med Chem Lett 3: 1595-1600 (1993) Article DOI: 10.1016/S0960-894X(00)80024-4 BindingDB Entry DOI: 10.7270/Q2154GZH | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description In vitro inhibition HIV-1 IIIB protease. | Bioorg Med Chem Lett 4: 2217-2222 (1994) Article DOI: 10.1016/S0960-894X(00)80074-8 BindingDB Entry DOI: 10.7270/Q2PG1RP3 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Human immunodeficiency virus type 1 protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar | Purchase CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article | n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibitory activity against HIV-1 protease | Bioorg Med Chem Lett 5: 715-720 (1995) Article DOI: 10.1016/0960-894X(95)00101-X BindingDB Entry DOI: 10.7270/Q2K937HR | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |
Displayed 1 to 50 (of 69 total ) | Next | Last >> |
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | GoogleScholar PDB | CHEBI MMDB PC cid PC sid PDB | -11.8 | -14.0 | 2.20 | n/a | 5 | 25 | |
The Johns Hopkins University | Biochemistry 39: 11876-83 (2000) | |||||||||
HIV-1 Protease Mutant (V82F/I84V) (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | GoogleScholar PDB | CHEBI MMDB PC cid PC sid PDB | -10.4 | -13.9 | 3.49 | n/a | 5 | 25 | |
The Johns Hopkins University | Biochemistry 39: 11876-83 (2000) | |||||||||
HIV-1 Protease Mutant (L10I/L90M) (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | GoogleScholar PDB | CHEBI MMDB PC cid PC sid PDB | -12.0 | -15.6 | 3.59 | 8.77 | 5 | 25 | |
The Johns Hopkins University | Biochemistry 42: 13659-66 (2003) | |||||||||
HIV-1 Protease Mutant, MDR-HM (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | GoogleScholar PDB | CHEBI MMDB PC cid PC sid PDB | -8.49 | -18.9 | 10.4 | 6.26 | 5 | 25 | |
The Johns Hopkins University | Biochemistry 42: 13659-66 (2003) | |||||||||
HIV-1 Protease Mutant, MDR-QM (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | GoogleScholar PDB | CHEBI MMDB PC cid PC sid PDB | -9.98 | -18.5 | 8.49 | 7.36 | 5 | 25 | |
The Johns Hopkins University | Biochemistry 42: 13659-66 (2003) | |||||||||
HIV-1 Protease Mutant (V82A/I84V) (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | GoogleScholar PDB | CHEBI MMDB PC cid PC sid PDB | -11.8 | -15.5 | 3.69 | 8.66 | 5 | 25 | |
The Johns Hopkins University | Biochemistry 42: 13659-66 (2003) | |||||||||
HIV-1 Protease Mutant (M46I/I54V) (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | GoogleScholar PDB | CHEBI MMDB PC cid PC sid PDB | -11.9 | -17.0 | 5.09 | 8.71 | 5 | 25 | |
The Johns Hopkins University | Biochemistry 42: 13659-66 (2003) | |||||||||
HIV-1 Protease B Subtype (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | GoogleScholar PDB | CHEBI MMDB PC cid PC sid PDB | -12.8 | -14.7 | 1.90 | 9.40 | 5 | 25 | |
The Johns Hopkins University | Biochemistry 41: 8613-9 (2002) | |||||||||
HIV-1 Protease C Subtype (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | GoogleScholar PDB | CHEBI MMDB PC cid PC sid PDB | -12.4 | -14.5 | 2.10 | 9.11 | 5 | 25 | |
The Johns Hopkins University | Biochemistry 41: 8613-9 (2002) | |||||||||
HIV-1 Protease A Subtype (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | GoogleScholar PDB | CHEBI MMDB PC cid PC sid PDB | -12.2 | -14.4 | 2.20 | 8.95 | 5 | 25 | |
The Johns Hopkins University | Biochemistry 41: 8613-9 (2002) | |||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | GoogleScholar PDB | CHEBI MMDB PC cid PC sid PDB | -12.8 | -14.7 | 1.90 | 9.40 | 5 | 25 | |
The Johns Hopkins University | Biochemistry 42: 631-8 (2003) | |||||||||
HIV-1 Protease B Subtype Mutant (V82F/I84V) (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | GoogleScholar PDB | CHEBI MMDB PC cid PC sid PDB | -11.0 | -14.3 | 3.29 | 8.08 | 5 | 25 | |
The Johns Hopkins University | Biochemistry 41: 8613-9 (2002) | |||||||||
HIV-1 Protease Mutant, NAM-10 (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | GoogleScholar | CHEBI MMDB PC cid PC sid PDB | -8.69 | -15.1 | 6.39 | 6.38 | 5 | 25 | |
The Johns Hopkins University | Biochemistry 42: 631-8 (2003) | |||||||||
HIV-1 Protease C Subtype Mutant (V82F/I84V) (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | GoogleScholar PDB | CHEBI MMDB PC cid PC sid PDB | -10.6 | -13.6 | 3.00 | 7.79 | 5 | 25 | |
The Johns Hopkins University | Biochemistry 41: 8613-9 (2002) | |||||||||
HIV-1 Protease (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | GoogleScholar PDB | CHEBI MMDB PC cid PC sid PDB | -13.0 | -14.2 | 1.20 | 9.56 | 5 | 25 | |
The Johns Hopkins University | Biochemistry 42: 13659-66 (2003) | |||||||||
HIV-1 Protease A Subtype Mutant (V82F/I84V) (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | GoogleScholar PDB | CHEBI MMDB PC cid PC sid PDB | -10.4 | -13.3 | 2.90 | 7.62 | 5 | 25 | |
The Johns Hopkins University | Biochemistry 41: 8613-9 (2002) | |||||||||
HIV-1 Protease Mutant, ANAM-11 (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | GoogleScholar | CHEBI MMDB PC cid PC sid PDB | -7.67 | -17.3 | 9.58 | 5.63 | 5 | 25 | |
The Johns Hopkins University | Biochemistry 42: 631-8 (2003) | |||||||||
HIV-1 Protease Mutant, A-1 (Human immunodeficiency virus type 1) | BDBM519![]() ((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...) | GoogleScholar PDB | CHEBI MMDB PC cid PC sid PDB | -12.0 | -18.0 | 5.99 | 8.80 | 5 | 25 | |
The Johns Hopkins University | Biochemistry 42: 631-8 (2003) |