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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	MLS001173828
Molecular formula	C15H14ClNO2
IUPAC name	1-(4-chlorophenyl)-2-(2-methoxyanilino)ethanone
Molecular weight	275.732
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.8
Synonyms	1-(4-chlorophenyl)-2-[(2-methoxyphenyl)amino]ethan-1-one MLS-0328158.0002 Enamine_002334 Oprea1_841122 1-(4-chlorophenyl)-2-(2-methoxyanilino)ethanone AKOS001022423 MCULE-2801476714 Z56816115 1-(4-chlorophenyl)-2-[(2-methoxyphenyl)amino]ethanone CHEMBL1467838 AC1M5UJR HMS1400K02 SMR000588910 ZINC3243522 1-(4-chlorophenyl)-2-(o-anisidino)ethanone BDBM67344 MLS-0328158.0001 356568-61-1 cid_2360979 MolPort-001-823-603 AC1Q4ELL HMS2862J12 STK011466 [ Show all ]
Inchi Key	BJJPWLDJIRIWMD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H14ClNO2/c1-19-15-5-3-2-4-13(15)17-10-14(18)11-6-8-12(16)9-7-11/h2-9,17H,10H2,1H3
PubChem CID	2360979
ChEMBL	CHEMBL1467838
IUPHAR	N/A
BindingDB	67344
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	35277.0 nM	, PubChem BioAssay data set	BindingDB,ChEMBL

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