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Drug-Target Interaction

Drug

show drug details
PubChem ID:60787
Structure:
Synonyms:
(2S)-N-[(2S,3R)-4-[(3S)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinoline-2-carbonylamino)butanediamide
(3S-(2(1R*(R*),2S*),3I,4athetav,8athetav))-N(sup 1)-(3-(3-(((1,1-Dimethylethyl)amino)carbonyl)octahydro-2(1H)-isoquinolinyl)-2-hydroxy-1-(phenylmethyl)propyl)-2-((2-quinolinylcarbonyl)amino)butanediamide
(S)-N-((IS)-I-((1R)-2-((3S,4aS,8aS)-3-(tert-Butylcarbamoyl)octahydro-2(1H)-isoquinolyl)-1-hydroxyethyl)phenethyl)-2-quinaldamidosuccinamide
127779-20-8
149845-06-7
Butanediamide,
Butanediamide, N1-((1S,2R)-3-((3S,4aS,8aS)-3-(((1,1-dimethylethyl)amino)carbonyl)octahydro-2(1H)-isoquinolinyl)-2-hydroxy-1-(phenylmethyl)propyl)-2-((2-quinolinylcarbonyl)amino)-, (2S)-
Butanediamide, N1-(3-(3-(((1,1-dimethylethyl)amino)carbonyl)octahydro-2(1H)-isoquinolinyl)-2-hydroxy-1-(phenylmethyl)propyl)-2-((2-quinolinylcarbonyl)amino)-, (3S-(2(1R*(R*),2S*),3alpha,4aalpha,8aalpha))-
C38H50N6O5
DB01232
Fortovase
HSDB 7161
INVIRASE
LS-45633
Ro 31-8959
Ro 31-8959/000
SAQUINAVIR
Saquinavir Mesylate
Saquinavir [USAN]
Saquinivir
SQV
ATC-Codes:
Side-Effects:
Side-EffectFrequency
ketoacidosis0.0010
hematomas0.0010
hypersensitivity0.0010
hemarthroses0.0010
hypercholesterolemia0.0010
lipodystrophy0.0010
breast hypertrophy0.0010
vascular disorders0.0010
diabetes mellitus0.0008
hyperglycemia0.0008
allergic reactions0.00066
convulsions0.00066
somnolence0.00066
hepatitis0.00066
bleeding0.00066
thrombophlebitis0.00066
hypertriglyceridemia0.00066
pharyngitis0.0
skin nodule0.0
sinusitis0.0
pain pelvic0.0
seizures0.0
poliomyelitis0.0
dermatitis seborrheic0.0
peripheral neuropathy0.0
rhinitis0.0
psychosis0.0
pneumonia0.0
paresthesia0.0
paresis0.0
leucopenia0.0
liver disease0.0
pulmonary disease0.0
melena0.0
cramps0.0
musculoskeletal pain0.0
infection mycotic0.0
nail disorder0.0
neoplasms0.0
pancytopenia0.0
neutropenia0.0
night sweats0.0
numbness0.0
otitis0.0
pain0.0
pancreatitis0.0
progressive multifocal leukoencephalopathy0.0
skin ulceration0.0
spasms0.0
myalgia0.0
vaginal discharge0.0
polyarthritis0.0
retrosternal pain0.0
hypophosphatemia0.0
hyperphosphatemia0.0
agitation0.0
mouth dry0.0
colic abdominal0.0
hemorrhage rectum0.0
insomnia0.0
acne0.0
sweating increased0.0
lymphadenopathy0.0
dysesthesia0.0
nephrolithiasis0.0
photosensitivity0.0
dry eye0.0
weight decrease0.0
weight increase0.0
tooth disorder0.0
tinnitus0.0
thrombocytopenia0.0
syncope0.0
suicide attempt0.0
stomatitis0.0
stevens - johnson syndrome0.0
splenomegaly0.0
toothache0.0
tremor0.0
verruca0.0
vomiting0.0
urticaria0.0
urinary tract infection0.0
upper respiratory tract infection0.0
erythema0.0
unconsciousness0.0
ulceration0.0
hearing decreased0.0
acute myeloblastic leukemia0.0
abdominal pain0.0
chalazion0.0
chest pain0.0
confusion0.0
constipation0.0
cough0.0
dysphagia0.0
dehydration0.0
dermatitis0.0
dizziness0.0
dysarthria0.0
infectious diarrhea0.0
dyspepsia0.0
dyspnea0.0
earache0.0
eczema0.0
edema0.0
epistaxis0.0
cellulitis0.0
moniliasis0.0
abscess0.0
alopecia0.0
amnesia0.0
anemia0.0
hemolytic anemia0.0
angina0.0
anorexia0.0
anxiety0.0
arthralgia0.0
arthritis0.0
ascites0.0
weakness generalized0.0
ataxia0.0
back pain0.0
infection bacterial0.0
blepharitis0.0
bronchitis0.0
eructation0.0
cramps leg0.0
hyperbilirubinemia0.0
hypercalcemia0.0
hyperesthesia0.0
hyperkalemia0.0
hypernatremia0.0
hypertension0.0
portal hypertension0.0
hypocalcemia0.0
hypokalemia0.0
hyponatremia0.0
hypotension0.0
impotence0.0
infection0.0
influenza0.0
jaundice0.0
renal calculus0.0
laryngitis0.0
herpes zoster0.0
herpes simplex0.0
furunculosis0.0
folliculitis0.0
flushes0.0
flatulence0.0
fever0.0
fatigue0.0
rash0.0
esophagitis0.0
gastritis0.0
gingivitis0.0
hepatomegaly0.0
hemorrhoids0.0
hemoptysis0.0
heart valve disorder0.0
heart murmur0.0
headache0.0
hallucination0.0
glossitis0.0
hypothyroidism0
intracranial hemorrhage0
drug eruption0
asthma0
polyps0
heart disease0
mediastinal disorders0
conjunctivitis0
sgot increased0
pruritus ani0
ulcerative stomatitis0
connective tissue disorders0
neuropathy0
esophageal ulcer0
unconsciousness0
irritability0
menstrual disorder0
cyst0
heartburn0
cholelithiasis0
allergic rhinitis0
renal colic0
papilloma0
abdominal pain upper0
sclerosing cholangitis0
euphoria0
clotting0
malaise0
cerebrovascular accident0
elevated liver function tests0
retinitis0
psoriasis0
nausea0
fecal incontinence0
epididymitis0
gastroesophageal reflux0
cerebral hemorrhage0
renal insufficiency0
pruritus0
low back pain0
molluscum contagiosum0
menstrual irregularity0
myopathy0
diarrhea0
vertigo0
dry skin0
infestation0
endocrine disorders0
nocturia0
abdominal distention0
hypoglycemia0
sarcoma0
muscle weakness0

Target

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Uniprot ID:POL_HV1H2
Synonyms:
Gag-Pol polyprotein
Pr160Gag-Pol
EC-Numbers:-
Organism:HIV-1
Human immunodeficiency virus type 1
isolate HXB2 group M subtype B
PDB IDs:1A30 1BV7 1BV9 1BVE 1BVG 1BWA 1BWB 1C0T 1C0U 1C1B 1C1C 1DMP 1DTQ 1DTT 1E6J 1EP4 1ESK 1EX4 1EXQ 1FB7 1FK9 1FKO 1FKP 1G6L 1HIV 1HVH 1HVR 1HWR 1HXB 1JKH 1JLA 1JLB 1JLC 1JLE 1JLF 1JLG 1JLQ 1KLM 1LV1 1LW0 1LW2 1LWC 1LWE 1LWF 1NCP 1O1W 1ODW 1ODY 1QBR 1QBS 1QBT 1QBU 1REV 1RT1 1RT2 1RT3 1RT4 1RT5 1RT6 1RT7 1RTD 1RTH 1RTI 1RTJ 1S1T 1S1U 1S1V 1S1W 1S1X 1T05 1TAM 1TKT 1TKX 1TKZ 1TL1 1TL3 1VRT 1VRU 2HND 2HNY 2HNZ 2NPH 2OPP 2OPQ 2OPR 2OPS 2RF2 2RKI 3C6T 3C6U 3DI6 3DLE 3DLG 3DM2 3DMJ 3DOK 3DOL 3DOX 3DRP 3DRR 3DRS 3DYA 3E01 3I0R 3I0S 3PHV
Structure:
3PHV

Binding Affinities:

Ki: Kd:Ic 50:Ec50/Ic50:
----

References:

16433896
Differential inhibition of cytochrome P450 3A4, 3A5 and 3A7 by five human immunodeficiency virus (HIV) protease inhibitors in vitro.. Marika T Granfors; Jun-Sheng Wang; Lauri I Kajosaari; Jouko Laitila; Pertti J Neuvonen; Janne T Backman (2006) Basic & clinical pharmacology & toxicology display abstract
The effects of five HIV protease inhibitors (amprenavir, indinavir, nelfinavir, ritonavir and saquinavir) on cytochrome P450 (CYP) 3A4, 3A5 and 3A7 activities were studied in vitro using testosterone 6beta-hydroxylation in recombinant CYP3A4, CYP3A5 and CYP3A7 enzymes. The protease inhibitors showed differential inhibitory effects on the three CYP3A forms. Ritonavir and saquinavir were non-selective and preferential inhibitors of CYP3A4 and CYP3A5 (K(i) 0.03 microM and 0.6-0.8 microM for ritonavir and saquinavir, respectively), and weaker inhibitors of CYP3A7 (K(i) 0.6 microM and 1.8 microM, respectively). Nelfinavir was a potent and non-selective inhibitor of all three CYP3A forms (K(i) 0.3-0.4 microM). Amprenavir and indinavir preferentially inhibited CYP3A4 (K(i) 0.1 microM and 0.2 microM, respectively), with weaker inhibitory effects on CYP3A5 (K(i) 0.5 microM and 2.2 microM, respectively) and CYP3A7 (K(i) 2.1 microM and 10.6 microM, respectively). In conclusion, significant differences exist in the inhibitory potency of protease inhibitors for different CYP3A forms. Ritonavir, nelfinavir, saquinavir and amprenavir seem to be prone to drug-drug interactions by inhibiting both CYP3A4 and CYP3A5. Especially nelfinavir and ritonavir also have a potential to inhibit foetal CYP3A7-mediated drug metabolism and some endogenous pathways that may be crucial to normal foetal development, while indinavir has the lowest potential to inhibit CYP3A5 and CYP3A7.