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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	valsartan
Molecular formula	C24H29N5O3
IUPAC name	(2S)-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	AB2000354 MFCD00865840 AKOS015994698 Nisis N-(1-Oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-(L)-valine BDBM50049186 PubChem9865 N-Valeryl-N-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-L-valine CCG-101028 SCHEMBL2542 (2S)-3-methyl-2-[N-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)pentanamido]butanoic acid CPD000466318 Spectrum5_001582 (s)-3-methyl-2-[N-({4-[2-(2h-1,2,3,4-tetrazol-5-yl) phenyl]phenyl}methyl)pentanamido]butanoic acid Diovan (TN) TR-031794 (S)-N-(1-Carboxy-2-methyl-prop-1-yl)-N-pentanoyl-N-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-amine GP8514 4997-EP2270011A1 HMS3715P12 Valsartan, >=98% (HPLC) 4997-EP2301923A1 KBio2_002287 Valzaar (TN) 62V534 L-Valine, N-(1-oxopentyl)-N-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)- L-Valine, N-(1-oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]- AC1Q5QIK MLS001424088 ANW-49040 NSC758927 N-(p-(o-1H-Tetrazol-5-ylphenyl)benzyl)-N-valeryl-L-valine BR-58790 s1894 CGP 48933 SPBio_001260 (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid. D04HSR SR-05000001928-1 (S)-3-Methyl-2-{pentanoyl-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid EC 604-045-2 VA11929 137863-60-6 HMS1922L21 Valsartan (JP17/USAN/INN) 4997-EP2295406A1 I14-41498 Valsartan, United States Pharmacopeia (USP) Reference Standard 4997-EP2305219A1 KBio3_003006 ZINC3875259 AB00639940-06 LS-161334 AK-58790 N-[p-(o-1H-Tetrazol-5-ylphenyl)benzyl]-N-valeryl-L-valine N-((2'-(2H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-N-pentanoyl-L-valine BC204156 Prexxartan (oral solution) N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-L-valine BSPBio_003501 SBI-0206738.P001 (2S)-3-Methyl-2-(pentanoyl-((4-(2-(2H-tetrazol-5-yl)phenyl)phenyl)methyl)amino)butanoic acid Spectrum3_001831 (S)-2-(N-((2'-(1H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoic acid DB00177 Tareg (S)-N-(1-carboxy-2-methyl-prop-1-yl)-N-pentanoyl-N-[2'(1H-tetrazol-5-yl)biphenyl-4-yl-methyl]amine EZR-104 Vals 3-Methyl-2-{pentanoyl-[2''-(1H-tetrazol-5-yl)-biphenyl-4-yl]-amino}-butyric acid HMS2232F05 Valsartan [USAN:INN] 4997-EP2298776A1 J10013 Valtan (TN) KS-00000ISS AB00639940_11 AC-4543 Miten AM90287 Novartis brand of valsartan N-(1-oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-L-valine BG0645 RTR-031794 CCG-221275 Schwarz brand of valsartan (2S)-3-methyl-2-[pentanoyl-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid CS-1967 Spectrum_001796 (S)-3-methyl-2-[N-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)pentanamido]butanoic acid Diovan, Valsartan UNII-80M03YXJ7I (S)-N-valeryl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]-methyl}-valine GTPL3937 valsartan (Diovan) 4997-EP2272841A1 HSDB 7519 Valsartan, European Pharmacopoeia (EP) Reference Standard 4997-EP2301931A1 KBio2_004855 Varexan 80M03YXJ7I L-Valine, N-(1-oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]- L-Valsartan ACT02671 MolPort-002-507-854 Aventis brand of valsartan Pharmakon1600-01505209 N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl}-L-valine BRD-K45158365-001-02-3 SAM001246581 CGP-48933 SPECTRUM1505209 (2S)-3-Methyl-2-{N-pentanoyl-N'-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butanoic acid D06UDG ST2408288 (S)-3-Methyl-2-{pentanoyl-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid Esteve brand of valsartan VAL-489 2-{[2''-(2,3-Dihydro-1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-pentanoyl-amino}-3-methyl-butyric acid HMS2051L12 Valsartan for peak identification, European Pharmacopoeia (EP) Reference Standard 4997-EP2295422A2 I997 Valsartan,(S) 4997-EP2308562A2 KBioGR_001078 [3H]valsartan AB00639940-08 AB07510 MCULE-6728882368 AKOS015914315 NC00278 N-(1-oxopentyl)-N-[[2'-(1h-tetrazol-5-yl) [1,1'-bi-phenyl]-4-yl]methyl]-l-valine BCP05184 Provas N-valeryl-N-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)valine C24H29N5O3 SC-00971 (2S)-3-methyl-2-[N-({4-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)pentanamido]butanoic acid CHEMBL1069 Spectrum4_000749 (s)-2-(n-((2'-(1h-tetrazol-5-yl)biphenyl-4-yl)methyl)pentanamido)-3-methylbutanoic acid Diovan TL8000869 (S)-N-(1-carboxy-2-methyl-prop-1-yl)-N-pentanoyl-N-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amine FT-0631156 Valsarran HMS3651E04 Valsartan [USAN:USP:INN:BAN] 4997-EP2298779A1 Kalpress Valzaar KS-1194 AC1L1U1M MLS000759423 AN-7255 NSC-758927 N-(1-OXOPENTYL)-N-[[2'-(2H-TETRAZOL-5-YL)[1,1'-BIPHENYL]-4-YL]METHYL]-L-VALINE BIDD:GT0345 S-6418 CEPA brand of valsartan SMR000466318 (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid D00400 SR-05000001928 (s)-3-methyl-2-{pentanoyl-[-2'-(1h-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid DS-1248 V-120 137862-53-4 GTPL593 Valsartan (JAN/USAN/INN) 4997-EP2277879A1 HY-18204 Valsartan, Pharmaceutical Secondary Standard; Certified Reference Material 4997-EP2301936A1 KBio2_007423 walsartan AB0013966 L-Valine, N-(1-oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-(9CI) Lacer brand of valsartan ACWBQPMHZXGDFX-QFIPXVFZSA-N N-Valeryl-N-[2'-(5-tetrazolyl)biphenyl-4-ylmethyl]-L-valine MolPort-003-666-608 AX8018200 Prexxartan N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-L-valine BRD-K45158365-001-05-6 Sanol brand of valsartan CHEBI:9927 Spectrum2_001120 (5)-2-{N-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]pentanamido}-3-methylbutanoic acid SW197658-2 (S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid Exforge Valpression 3-Methyl-2-{((S)-pentanoyl)-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid HMS2093K22 Valsartan for system suitability, European Pharmacopoeia (EP) Reference Standard 4997-EP2298772A1 J-007068 Valtan 4997-EP2308839A1 KBioSS_002289 AB00639940_09 [ Show all ]
Inchi Key	ACWBQPMHZXGDFX-QFIPXVFZSA-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-/m0/s1
PubChem CID	60846
ChEMBL	CHEMBL1069
IUPHAR	3937, 593
BindingDB	50049186
DrugBank	DB00177
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Affinity	1.7 nM	PMID15974591	ChEMBL
AT1 affinity	1.4 nM l-1	PMID12773029	ChEMBL
Emax	4.0 hr	PMID15974591	ChEMBL
IC50	1.0 - 1.58 nM	PMID11206708	IUPHAR
IC50	2.43 nM	PMID8577935	IUPHAR
IC50	2.7 nM	, Bioorg. Med. Chem. Lett., (1994) 4:1:29	BindingDB,ChEMBL
Ki	4700.0 nM	PMID12773029	BindingDB,ChEMBL
pKa	3.1 -	PMID15974591	ChEMBL
pKa	4.7 -	PMID15974591	ChEMBL

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