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GPCR

Name	Type-1A angiotensin II receptor
Species	Rattus norvegicus (Rat)
Gene	Agtr1
Synonym	Angiotensin II type-1A receptor AT1A
Disease	N/A for non-human GPCRs
Length	359
Amino acid sequence	MALNSSAEDGIKRIQDDCPKAGRHSYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNHLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLMAGLASLPAVIHRNVYFIENTNITVCAFHYESRNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFRIIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCKISDIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSSLSTKMSTLSYRPSDNMSSSAKKPASCFEVE
UniProt	P25095
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL329
IUPHAR	34
DrugBank	N/A

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	4997-EP2298776A1 J10013 KS-00000ISS AB00639940_11 NSC758927 LS-161334 AK-58790 s1894 N-((2'-(2H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-N-pentanoyl-L-valine BC204156 SPBio_001260 N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-L-valine BSPBio_003501 SR-05000001928-1 (2S)-3-Methyl-2-(pentanoyl-((4-(2-(2H-tetrazol-5-yl)phenyl)phenyl)methyl)amino)butanoic acid VA11929 (S)-2-(N-((2'-(1H-Tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoic acid DB00177 Valsartan (JP17/USAN/INN) (S)-N-(1-carboxy-2-methyl-prop-1-yl)-N-pentanoyl-N-[2'(1H-tetrazol-5-yl)biphenyl-4-yl-methyl]amine EZR-104 Valsartan, United States Pharmacopeia (USP) Reference Standard 3-Methyl-2-{pentanoyl-[2''-(1H-tetrazol-5-yl)-biphenyl-4-yl]-amino}-butyric acid HMS2232F05 ZINC3875259 4997-EP2301931A1 KBio2_004855 80M03YXJ7I N-[p-(o-1H-Tetrazol-5-ylphenyl)benzyl]-N-valeryl-L-valine L-Valine, N-(1-oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]- AC-4543 Prexxartan (oral solution) Miten AM90287 SBI-0206738.P001 N-(1-oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-L-valine BG0645 Spectrum3_001831 CCG-221275 Tareg (2S)-3-methyl-2-[pentanoyl-[[4-[2-(1H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid CS-1967 Vals (S)-3-methyl-2-[N-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)pentanamido]butanoic acid Diovan, Valsartan Valsartan [USAN:INN] (S)-N-valeryl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]-methyl}-valine GTPL3937 Valtan (TN) 4997-EP2272841A1 HSDB 7519 I997 4997-EP2308562A2 KBioGR_001078 AB00639940-08 Novartis brand of valsartan L-Valsartan ACT02671 RTR-031794 MolPort-002-507-854 Aventis brand of valsartan Schwarz brand of valsartan N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl}-L-valine BRD-K45158365-001-02-3 Spectrum_001796 CGP-48933 UNII-80M03YXJ7I (2S)-3-Methyl-2-{N-pentanoyl-N'-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butanoic acid D06UDG valsartan (Diovan) (S)-3-Methyl-2-{pentanoyl-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid Esteve brand of valsartan Valsartan, European Pharmacopoeia (EP) Reference Standard 2-{[2''-(2,3-Dihydro-1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-pentanoyl-amino}-3-methyl-butyric acid HMS2051L12 Varexan 4997-EP2295422A2 4997-EP2298779A1 Kalpress KS-1194 AB07510 Pharmakon1600-01505209 MCULE-6728882368 AKOS015914315 SAM001246581 N-(1-oxopentyl)-N-[[2'-(1h-tetrazol-5-yl) [1,1'-bi-phenyl]-4-yl]methyl]-l-valine BCP05184 SPECTRUM1505209 N-valeryl-N-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)valine C24H29N5O3 ST2408288 (2S)-3-methyl-2-[N-({4-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)pentanamido]butanoic acid CHEMBL1069 VAL-489 (s)-2-(n-((2'-(1h-tetrazol-5-yl)biphenyl-4-yl)methyl)pentanamido)-3-methylbutanoic acid Diovan Valsartan for peak identification, European Pharmacopoeia (EP) Reference Standard (S)-N-(1-carboxy-2-methyl-prop-1-yl)-N-pentanoyl-N-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amine FT-0631156 Valsartan,(S) HMS3651E04 [3H]valsartan HY-18204 4997-EP2301936A1 KBio2_007423 AB0013966 NC00278 L-Valine, N-(1-oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-(9CI) AC1L1U1M Provas MLS000759423 AN-7255 SC-00971 N-(1-OXOPENTYL)-N-[[2'-(2H-TETRAZOL-5-YL)[1,1'-BIPHENYL]-4-YL]METHYL]-L-VALINE BIDD:GT0345 Spectrum4_000749 CEPA brand of valsartan TL8000869 (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid D00400 Valsarran (s)-3-methyl-2-{pentanoyl-[-2'-(1h-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid DS-1248 Valsartan [USAN:USP:INN:BAN] 137862-53-4 GTPL593 Valzaar 4997-EP2277879A1 J-007068 4997-EP2308839A1 KBioSS_002289 AB00639940_09 NSC-758927 Lacer brand of valsartan ACWBQPMHZXGDFX-QFIPXVFZSA-N S-6418 MolPort-003-666-608 AX8018200 SMR000466318 N-pentanoyl-N-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-L-valine BRD-K45158365-001-05-6 SR-05000001928 CHEBI:9927 V-120 (5)-2-{N-[(2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl]pentanamido}-3-methylbutanoic acid Valsartan (JAN/USAN/INN) (S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid Exforge Valsartan, Pharmaceutical Secondary Standard; Certified Reference Material 3-Methyl-2-{((S)-pentanoyl)-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid HMS2093K22 walsartan 4997-EP2298772A1 4997-EP2301923A1 KBio2_002287 62V534 N-Valeryl-N-[2'-(5-tetrazolyl)biphenyl-4-ylmethyl]-L-valine L-Valine, N-(1-oxopentyl)-N-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)- AB2000354 Prexxartan MFCD00865840 AKOS015994698 Sanol brand of valsartan N-(1-Oxopentyl)-N-[[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-(L)-valine BDBM50049186 Spectrum2_001120 N-Valeryl-N-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-L-valine CCG-101028 SW197658-2 (2S)-3-methyl-2-[N-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)pentanamido]butanoic acid CPD000466318 Valpression (s)-3-methyl-2-[N-({4-[2-(2h-1,2,3,4-tetrazol-5-yl) phenyl]phenyl}methyl)pentanamido]butanoic acid Diovan (TN) Valsartan for system suitability, European Pharmacopoeia (EP) Reference Standard (S)-N-(1-Carboxy-2-methyl-prop-1-yl)-N-pentanoyl-N-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-amine GP8514 Valtan 4997-EP2270011A1 HMS3715P12 I14-41498 4997-EP2305219A1 KBio3_003006 AB00639940-06 Nisis L-Valine, N-(1-oxopentyl)-N-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]- AC1Q5QIK PubChem9865 MLS001424088 ANW-49040 SCHEMBL2542 N-(p-(o-1H-Tetrazol-5-ylphenyl)benzyl)-N-valeryl-L-valine BR-58790 Spectrum5_001582 CGP 48933 TR-031794 (2S)-3-methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]butanoic acid. D04HSR (S)-3-Methyl-2-{pentanoyl-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid EC 604-045-2 Valsartan, >=98% (HPLC) 137863-60-6 HMS1922L21 Valzaar (TN) 4997-EP2295406A1 [ 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	593, 3937
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
IC50	3.4 nM	PMID18318468	BindingDB,ChEMBL

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