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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	4-[(2E)-2-(2,4-dimethoxybenzylidene)hydrazinyl]-2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidine
Molecular formula	C19H22N6O2
IUPAC name	N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine
Molecular weight	366.425
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	3.6
Synonyms	MolPort-002-539-013 302798-94-3 STK016836 CHEMBL3191846 AKOS005377863
Inchi Key	BHIUFNZKXFDGDQ-RGVLZGJSSA-N
Inchi ID	InChI=1S/C19H22N6O2/c1-12-9-18(22-19(21-12)25-14(3)8-13(2)24-25)23-20-11-15-6-7-16(26-4)10-17(15)27-5/h6-11H,1-5H3,(H,21,22,23)/b20-11+
PubChem CID	9608279
ChEMBL	CHEMBL3191846
IUPHAR	N/A
BindingDB	N/A
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	3512.0 nM	PubChem BioAssay data set	ChEMBL

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