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GLASS

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GPCR

Name	Type-1 angiotensin II receptor
Species	Homo sapiens (Human)
Gene	AGTR1
Synonym	Type-1 angiotensin II receptor HAT1R Agtr-1a type-1A angiotensin II receptor AT1 type-1B angiotensin II receptor vascular type-1 angiotensin II receptor AT3 AT2R1A AG2S Agtr-1b Agtr1 angiotensin II receptor angiotensin II receptor, type 1 angiotensin II receptor, type 1a angiotensin II receptor, type 1b angiotensin II type-1 receptor angiotensin II type-1A receptor AT2R1 AT1BR AT1AR AT1 receptor Angtr-1b Angtr-1a angiotensin II type-1B receptor [ Show all ]
Disease	Metabolic syndrome x Myocardial infarction Hypertension Restenosis Alzheimer disease High blood pressure Heart failure Unspecified Hypotension [ Show all ]
Length	359
Amino acid sequence	MILNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWIPHQIFTFLDVLIQLGIIRDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKRYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSDNVSSSTKKPAPCFEVE
UniProt	P30556
Protein Data Bank	6do1, 4zud, 4yay
GPCR-HGmod model	P30556
3D structure model	This structure is from PDB ID 6do1.
BioLiP	BL0312790, BL0326733, BL0439004,BL0439005
Therapeutic Target Database	T74456
ChEMBL	CHEMBL227
IUPHAR	34
DrugBank	BE0000062

Ligand

Name	4-chloro-1-ethyl-3-nitroquinolin-2(1H)-one
Molecular formula	C11H9ClN2O3
IUPAC name	4-chloro-1-ethyl-3-nitroquinolin-2-one
Molecular weight	252.654
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	2.3
Synonyms	4-Chloro-1-ethyl-3-nitro-1H-quinolin-2-one A3391/0143850 CHEBI:92146 MolPort-000-434-905 STK104488 4-chloro-1-ethyl-3-nitrohydroquinolin-2-one BAS 08139291 cid_800048 SMR000290991 4-chloranyl-1-ethyl-3-nitro-quinolin-2-one 433310-26-0 BRD-K08463963-001-10-1 MLS000718723 SR-01000246066-3 4-chloro-1-ethyl-3-nitro-2-quinolinone AC1LFAW6 Oprea1_018714 Z57455247 BDBM67266 HMS2703O21 SR-01000246066 4-chloro-1-ethyl-3-nitro-1,2-dihydroquinolin-2-one Cambridge id 6904460 MLS003370524 ST4100788 4-chloro-1-ethyl-3-nitro-carbostyril AKOS000561603 CHEMBL1342053 Oprea1_142442 ZINC306418 4-chloro-1-ethyl-3-nitroquinolin-2-one BRD-K08463963-001-08-5 MCULE-5629981413 SR-01000246066-1 [ Show all ]
Inchi Key	FIUNXRLMZHVJPJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H9ClN2O3/c1-2-13-8-6-4-3-5-7(8)9(12)10(11(13)15)14(16)17/h3-6H,2H2,1H3
PubChem CID	800048
ChEMBL	CHEMBL1342053
IUPHAR	N/A
BindingDB	67266
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2221.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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