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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	MLS000720075
Molecular formula	C13H9N5O5
IUPAC name	3,5-dinitro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
Molecular weight	315.245
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.8
Synonyms	3,5-dinitro-N-(2-pyridylmethyleneamino)benzamide AKOS001591383 SR-01000078729 3,5-dinitro-N'-[(1E)-pyridin-2-ylmethylene]benzohydrazide CHEMBL3192235 3,5-dinitro-N-(pyridin-2-ylmethylideneamino)benzamide MolPort-007-549-991 BDBM60249 SR-01000078729-1 3,5-dinitro-N-(2-pyridinylmethylideneamino)benzamide cid_16193305 SMR000304604 [ Show all ]
Inchi Key	AOXPIPLNHJRYIZ-OVCLIPMQSA-N
Inchi ID	InChI=1S/C13H9N5O5/c19-13(16-15-8-10-3-1-2-4-14-10)9-5-11(17(20)21)7-12(6-9)18(22)23/h1-8H,(H,16,19)/b15-8+
PubChem CID	46495021
ChEMBL	CHEMBL3192235
IUPHAR	N/A
BindingDB	60249
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	4065.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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