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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	137862-87-4
Molecular formula	C24H29N5O3
IUPAC name	(2R)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid
Molecular weight	435.528
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.4
Synonyms	(r)-2-(n-((2-(1h-tetrazol-5-yl)-[1,1-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoic acid AC1NR4SZ BR-39369 DSSTox_CID_3735 N-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-N-pentanoyl-D-valine TR-005022 ZINC3831602 (2R)-3-methyl-2-[1-oxopentyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid (R)-N-Valeryl-N-([2'-(1H-tetrazole-5-yl)-biphenyl-4-yl]-Methyl)-valine AKOS026751459 DTXSID6023735 NCGC00095139-01 Valsartan related compound A RS [USP] (2R)-3-methyl-2-[pentanoyl-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid A807313 AX8164352 D-Valine, N-(1-oxopentyl)-N-((2'-(2H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)- IDC67444MI ST24026402 Valsartan specified impurity A [EP] (2R)-3-Methyl-2-[pentanoyl[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]amino]butanoic Acid (Valsartan (R)-Enantiomer) (R)-2-(N-((2;-(1H-Tetrazol-5-yl)-[1,1;-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoic acid AK-39369 CAS-137862-53-4 DSSTox_GSID_23735 N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-D-valine UNII-IDC67444MI [(R-N-valeryl-N-([2'-(1H-tetrazole-5-yl)biphen-4-yl]methyl)valine) (2R)-3-methyl-2-[N-({4-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)pentanamido]butanoic acid ANW-49605 CHEMBL115622 ent-Valsartan S-7514 Valsartan related compound A [USP] (2R)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid AB0068858 BDBM50282371 D-Valsartan J-007070 Tox21_111447 Valsartan, D- (2R)-3-Methyl-2-(pentanoyl((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)amino)butanoic acid (R)-2-(N-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoic acid (R)-3-Methyl-2-{pentanoyl-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid AKOS015854410 CGP-49309 DSSTox_RID_77173 N-VALERYL-N-{[2'-(1HTETRAZOLE-5-YL)-BIPHENYL-4-YL]-METHYL}-D-VALINE(ent-Valsartan)(Valsartan Related Compound A), Pharmaceutical Secondary Standard; Certified Reference Material Valsartan related compound A (2R)-3-methyl-2-[pentanoyl-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid API0012846 CTK8B5685 FT-0675772 SCHEMBL2328 Valsartan Related Compound A, United States Pharmacopeia (USP) Reference Standard (2R)-3-Methyl-2-[pentanoyl[[2'(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]amino]butanoic Acid [ Show all ]
Inchi Key	ACWBQPMHZXGDFX-JOCHJYFZSA-N
Inchi ID	InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m1/s1
PubChem CID	5284633
ChEMBL	CHEMBL115622
IUPHAR	N/A
BindingDB	50282371
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	300.0 nM	, Bioorg. Med. Chem. Lett., (1994) 4:1:29	BindingDB,ChEMBL

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