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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	MLS000528306
Molecular formula	C14H12N4S
IUPAC name	N-(3-methylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
Molecular weight	268.338
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.1
Synonyms	CHEMBL528694 N-(3-methylpyridin-2-yl)-4-(pyridin-2-yl)thiazol-2-amine AUWIYYMLXLLRIY-UHFFFAOYSA-N MCULE-7785909335 SJ000113257 (3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-yl)-amine CCG-120096 N-(3-methyl-2-pyridinyl)-4-(2-pyridinyl)-2-thiazolamine TCMDC-125846 AC1LJEER cid_972880 N-(3-methylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine (3-methyl(2-pyridyl))(4-(2-pyridyl)(1,3-thiazol-2-yl))amine BAS 08770268 SMR000120881 2-(3-methylpyridylamino)-4-(2-pyridyl)thiazole N-(3-methyl-2-pyridyl)-4-(2-pyridyl)thiazol-2-amine ZINC613283 AKOS000563477 HMS2177P16 SCHEMBL16112373 (3-methyl-2-pyridyl)-[4-(2-pyridyl)thiazol-2-yl]amine BDBM49381 MolPort-002-013-561 ST090278 [ Show all ]
Inchi Key	AUWIYYMLXLLRIY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H12N4S/c1-10-5-4-8-16-13(10)18-14-17-12(9-19-14)11-6-2-3-7-15-11/h2-9H,1H3,(H,16,17,18)
PubChem CID	972880
ChEMBL	CHEMBL528694
IUPHAR	N/A
BindingDB	49381
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	2238.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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