BindingDB PrimarySearch

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

Data: 35 KI 32 IC50 2 Kd 1 K_off 1 K_on 18 ITC

PDB links: 27 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 69 hits for monomerid = 519
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on 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...) Show SMILES Show InChI	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
GlaxoSmithKline					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...) Show SMILES Show InChI	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
Merck Research Laboratories Curated by ChEMBL					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...) Show SMILES Show InChI	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
University of Maryland					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...) Show SMILES Show InChI	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
Roche Products Ltd Curated by ChEMBL					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...) Show SMILES Show InChI	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
Roche Products Ltd Curated by ChEMBL					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...) Show SMILES Show InChI	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
Ciba-Geigy Corporation Curated by ChEMBL					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...) Show SMILES Show InChI	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
DuPont Pharmaceuticals Company					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...) Show SMILES Show InChI	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
Kyoto University Curated by ChEMBL					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...) Show SMILES Show InChI	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
Uppsala University Curated by ChEMBL					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...) Show SMILES Show InChI	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
Uppsala University Curated by ChEMBL					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...) Show SMILES Show InChI	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
DuPont Pharmaceuticals Company Curated by ChEMBL					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...) Show SMILES Show InChI	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
DuPont Pharmaceuticals Company Curated by ChEMBL					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...) Show SMILES Show InChI	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
DuPont Pharmaceuticals Company Curated by ChEMBL					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...) Show SMILES Show InChI	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
Johnson & Johnson Pharmaceutical					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...) Show SMILES Show InChI	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
TBA Curated by ChEMBL					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...) Show SMILES Show InChI	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
The Johns Hopkins University					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...) Show SMILES Show InChI	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
Johnson & Johnson Pharmaceutical					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...) Show SMILES Show InChI	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
Agouron Pharmaceuticals Inc					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...) Show SMILES Show InChI	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
Agouron Pharmaceuticals Inc					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...) Show SMILES Show InChI	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
University of Massachusetts Medical School					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...) Show SMILES Show InChI	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
Johnson & Johnson Pharmaceutical					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...) Show SMILES Show InChI	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
University of Illinois at Chicago Curated by ChEMBL					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...) Show SMILES Show InChI	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
Johnson & Johnson Pharmaceutical					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...) Show SMILES Show InChI	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
The Johns Hopkins University					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...) Show SMILES Show InChI	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
Merck Research Laboratories Curated by ChEMBL					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...) Show SMILES Show InChI	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
Merck Research Laboratories Curated by ChEMBL					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...) Show SMILES Show InChI	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
Johnson & Johnson Pharmaceutical					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...) Show SMILES Show InChI	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
Johnson & Johnson Pharmaceutical					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...) Show SMILES Show InChI	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
University of Massachusetts Medical School					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...) Show SMILES Show InChI	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
University of Massachusetts Medical School					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...) Show SMILES Show InChI	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
Merck Research Laboratories Curated by ChEMBL					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...) Show SMILES Show InChI	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
F. Hoffmann-La Roche Inc Curated by ChEMBL					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...) Show SMILES Show InChI	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
Pfizer Inc Curated by ChEMBL					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...) Show SMILES Show InChI	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
The Johns Hopkins University					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...) Show SMILES Show InChI	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
The Johns Hopkins University					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...) Show SMILES Show InChI	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
Boehringer Ingelheim Pharmaceuticals Inc					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...) Show SMILES Show InChI	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
Glaxo Group Research Ltd.					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...) Show SMILES Show InChI	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
Merck Research Laboratories					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...) Show SMILES Show InChI	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
Purdue University					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...) Show SMILES Show InChI	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
DuPont Pharmaceuticals Company					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...) Show SMILES Show InChI	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
Uppsala University Curated by ChEMBL					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...) Show SMILES Show InChI	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
Merck Research Laboratories Curated by ChEMBL					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...) Show SMILES Show InChI	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
Washington University Curated by ChEMBL					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...) Show SMILES Show InChI	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
Glaxo Research and Development Limited Curated by ChEMBL					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...) Show SMILES Show InChI	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
Schering-Plough Research Institute Curated by ChEMBL					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...) Show SMILES Show InChI	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
TBA Curated by ChEMBL					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...) Show SMILES Show InChI	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
TBA Curated by ChEMBL					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...) Show SMILES Show InChI	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
TBA Curated by ChEMBL					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...) Show SMILES Show InChI	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
TBA Curated by ChEMBL					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...) Show SMILES Show InChI	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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

Displayed 1 to 50 (of 69 total ) | Next | Last >>

Activity Spreadsheet -- ITC Data from BindingDB

Found 18 hits for monomerid = 519
Cell (A)	Syringe (B)	Cell Links	Syringe 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		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	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		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	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		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	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		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	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		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	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		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	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		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	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		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	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		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	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		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	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		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	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		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	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		GoogleScholar	CHEBI MMDB PC cid PC sid PDB	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		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	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		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	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		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	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		GoogleScholar	CHEBI MMDB PC cid PC sid PDB	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		GoogleScholar PDB	CHEBI MMDB PC cid PC sid PDB	Biochemistry 42: 631-8 (2003)