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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	CHEMBL2158005
Molecular formula	C17H10ClN3O6S
IUPAC name	[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-chloro-5-nitrobenzoate
Molecular weight	419.792
Hydrogen bond acceptor	9
Hydrogen bond donor	0
XlogP	2.8
Synonyms	ZINC9829253 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-chloro-5-nitrobenzoate MCULE-5690344762 AKOS024654806 SR-01000020415 MLS-0437367.0001 BDBM50393907 SR-01000020415-1 F2510-0136 877636-54-9 MolPort-003-127-658 [ Show all ]
Inchi Key	CVGXGMFNRHYEOK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H10ClN3O6S/c18-13-3-2-10(21(24)25)6-12(13)16(23)27-15-8-26-11(7-14(15)22)9-28-17-19-4-1-5-20-17/h1-8H,9H2
PubChem CID	18572337
ChEMBL	CHEMBL2158005
IUPHAR	N/A
BindingDB	50393907
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	60100.0 nM	PMID23010269	BindingDB,ChEMBL

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