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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	MLS001174708
Molecular formula	C12H9Br2NOS
IUPAC name	2-(4-bromoanilino)-1-(5-bromothiophen-2-yl)ethanone
Molecular weight	375.078
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	5.0
Synonyms	1-(5-bromanylthiophen-2-yl)-2-[(4-bromophenyl)amino]ethanone AKOS034463585 MolPort-004-013-399 2-(4-bromoanilino)-1-(5-bromothiophen-2-yl)ethanone CHEMBL1582697 ZINC5656689 726154-69-4 MCULE-1352947160 2-(4-bromoanilino)-1-(5-bromo-2-thienyl)ethanone BDBM67346 SMR000596301 2-[(4-bromophenyl)amino]-1-(5-bromothiophen-2-yl)ethan-1-one cid_3648468 AC1MUXFC 2-(4-bromoanilino)-1-(5-bromo-2-thiophenyl)ethanone Z56881135 HMS2905N11 [ Show all ]
Inchi Key	BZTSWLAROITJSP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H9Br2NOS/c13-8-1-3-9(4-2-8)15-7-10(16)11-5-6-12(14)17-11/h1-6,15H,7H2
PubChem CID	3648468
ChEMBL	CHEMBL1582697
IUPHAR	N/A
BindingDB	67346
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	14685.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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