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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	MLS001035334
Molecular formula	C19H18N2O7
IUPAC name	[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate
Molecular weight	386.36
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	1.9
Synonyms	AKOS001672662 [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]ethanoate Oprea1_422677 2-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester HMS2998F18 SR-01000494467-1 AKOS022001298 MolPort-001-516-583 [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate CHEMBL1592181 SMR000664541 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester MCULE-8696877083 STK252950 AC1MFR3V BDBM67372 Oprea1_150753 cid_2899190 SR-01000494467 2-(4-methyl-3-nitrophenyl)-2-oxoethyl (1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)acetate [ Show all ]
Inchi Key	CXQJULGCQBTONZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H18N2O7/c1-11-6-7-12(8-15(11)21(26)27)16(22)10-28-17(23)9-20-18(24)13-4-2-3-5-14(13)19(20)25/h2-3,6-8,13-14H,4-5,9-10H2,1H3
PubChem CID	2899190
ChEMBL	CHEMBL1592181
IUPHAR	N/A
BindingDB	67372
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	33570.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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