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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	MLS001033014
Molecular formula	C14H17Cl2NO
IUPAC name	1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
Molecular weight	286.196
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.2
Synonyms	CHEMBL1344824 1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanone MCULE-1258067231 734538-66-0 BDBM67286 SMR000363518 1-(3,4-dichlorophenyl)-2-(3-methyl-1-piperidinyl)ethanone cid_5218417 1-(3,4-dichlorophenyl)-2-(3-methylpiperidino)ethanone AC1NQBBS Z56042971 1-(3,4-dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethan-1-one HMS2698G07 AKOS008964128 MolPort-004-024-228 [ Show all ]
Inchi Key	APIRRWANGJCETR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H17Cl2NO/c1-10-3-2-6-17(8-10)9-14(18)11-4-5-12(15)13(16)7-11/h4-5,7,10H,2-3,6,8-9H2,1H3
PubChem CID	5218417
ChEMBL	CHEMBL1344824
IUPHAR	N/A
BindingDB	67286
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	4756.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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