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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	MLS001219249
Molecular formula	C20H18N2O7
IUPAC name	[2-(3-nitrophenyl)-2-oxoethyl] 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)propanoate
Molecular weight	398.371
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	1.8
Synonyms	AK-918/11909109 EU-0069521 SMR000608131 BAS 00757810 MLS-0332249.0001 STK268434 2-(3,5-Dioxo-4-aza-tricyclo[5.2.1.02,6]dec-8-en-4-yl)-propionic acid 2-(3-nitro-phenyl)-2-oxo-ethyl ester CHEMBL1331585 Oprea1_285295 AKOS000740940 HMS2898N07 SR-01000413133 BDBM67358 UPCMLD0ENAT0505-6930:001 2-(3-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)propanoate AC1MJTK3 cid_3118023 Oprea1_350925 AKOS016877796 MCULE-7423758592 SR-01000413133-1 2-(3,5-Dioxo-4-aza-tricyclo[5.2.1.02,6]dec-8-en-4-yl)-propionic acid 2-(3-nitr 2-{3-nitrophenyl}-2-oxoethyl 2-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)propanoate MolPort-001-025-197 [ Show all ]
Inchi Key	BTWSFRYVPCVJKN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H18N2O7/c1-10(21-18(24)16-12-5-6-13(7-12)17(16)19(21)25)20(26)29-9-15(23)11-3-2-4-14(8-11)22(27)28/h2-6,8,10,12-13,16-17H,7,9H2,1H3
PubChem CID	3118023
ChEMBL	CHEMBL1331585
IUPHAR	N/A
BindingDB	67358
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	<40000.0 nM	PubChem BioAssay data set	ChEMBL

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