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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	MLS001206870
Molecular formula	C19H13NO7
IUPAC name	[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 2-oxochromene-3-carboxylate
Molecular weight	367.313
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	3.8
Synonyms	[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 2-oxochromene-3-carboxylate BDBM67326 SMR000516365 2-methoxy-4-[(E)-2-nitroethenyl]phenyl 2-oxo-2H-chromene-3-carboxylate 302573-72-4 cid_1183382 ZINC943468 AKOS000536876 MolPort-000-800-287 ST50187531 2-oxo-1-benzopyran-3-carboxylic acid [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] ester 4-((1E)-2-nitrovinyl)-2-methoxyphenyl 2-oxochromene-3-carboxylate HMS2815P22 [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] 2-oxidanylidenechromene-3-carboxylate BAS 01220089 Oprea1_730708 2-ketochromene-3-carboxylic acid [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] ester 2-Oxo-2H-chromene-3-carboxylic acid 2-methoxy-4-(2-nitro-vinyl)-phenyl ester CHEMBL1333737 STK852366 [ Show all ]
Inchi Key	AIAOTAFSXSSCRY-CMDGGOBGSA-N
Inchi ID	InChI=1S/C19H13NO7/c1-25-17-10-12(8-9-20(23)24)6-7-16(17)27-19(22)14-11-13-4-2-3-5-15(13)26-18(14)21/h2-11H,1H3/b9-8+
PubChem CID	1183382
ChEMBL	CHEMBL1333737
IUPHAR	N/A
BindingDB	67326
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	10415.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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