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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	TASOSARTAN
Molecular formula	C23H21N7O
IUPAC name	2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
Molecular weight	411.469
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.0
Synonyms	AC1Q6LAA API0004324 D06010 GTPL6898 PubChem24430 TRA0054556 2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one 8-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one AK122151 BDBM50040439 DB01349 KB-80815 RL01832 WAY-126756 145733-36-4 2,4-dimethyl-8-{[2'-(2h-tetrazol-5-yl)biphenyl-4-yl]methyl}-5,8-dihydropyrido[2,3-d]pyrimidin-7(6h)-one ABP000993 AN-31383 CHEMBL432162 EX-A082 MolPort-006-167-782 Tasosartan (USAN/INN) 2,4-Dimethyl-8-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-5,8-dihydro-6H-pyrido[2,3-d]pyrimidin-7-one 5,8-Dihydro-2,4-dimethyl-8-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)pyrido(2,3-d)pyrimidin-7(6H)-one ACT06754 BC219641 D0M7TO HY-A0250 Pyrido(2,3-d)pyrimidin-7(6H)-one, 5,8-dihydro-2,4-dimethyl-8-((2'-(1H-tetrazol-5-yl)(1,1'-biphenyl)-4-yl)methyl)- UNII-48G92V856H 2,4-dimethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-5,6-dihydropyrido[6,5-d]pyrimidin-7-one 8-((2'-(2H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-2,4-dimethyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one AKOS000278114 CHEBI:135666 DS-6574 KS-000000TK SCHEMBL49626 WAY-ANA-756 2,4-dimethyl-8-({4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl}methyl)-5H,6H,7H,8H-pyrido[2,3-d]pyrimidin-7-one 48G92V856H AC1L1U5X ANA-756 CS-0017594 FT-0631174 NCGC00390218-01 Tasosartan [USAN:INN:BAN] 2,4-dimethyl-8-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]-5,8-dihydro-6H-pyrido[2,3-d]pyrimidin-7-one 5,8-dihydro-2,4-dimethyl-8-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]pyrido[2,3-d]pyrimidin-7(6H)-one 733T364 ADXGNEYLLLSOAR-UHFFFAOYSA-N BCP06091 J-524315 Pyrido[2,3-d]pyrimidin-7(6H)-one,5,8-dihydro-2,4-dimethyl-8-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]- Verdia 2,4-Dimethyl-8-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one 8-((2'-(2H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2,4-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one AKOS016011082 DTXSID40163148 L001443 ZINC13444037 2,4-Dimethyl-8-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-5,8-dihydro-6H-pyrido[2,3-d]pyrimidin-7-one 4CA-1214 [ Show all ]
Inchi Key	ADXGNEYLLLSOAR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H21N7O/c1-14-18-11-12-21(31)30(23(18)25-15(2)24-14)13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)22-26-28-29-27-22/h3-10H,11-13H2,1-2H3,(H,26,27,28,29)
PubChem CID	60919
ChEMBL	CHEMBL432162
IUPHAR	6898
BindingDB	50040439
DrugBank	DB01349
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	1.2 nM	PMID15974591	ChEMBL
AT1 affinity	1.2 nM l-1	PMID12773029	ChEMBL
Emax	0.5 hr	PMID15974591	ChEMBL
IC50	1.2 nM	PMID11046101	IUPHAR
IC50	32.0 nM	PMID12773029	BindingDB,ChEMBL
IC50	38.0 nM	PMID12113820	BindingDB,ChEMBL
pKa	5.0 -	PMID15974591	ChEMBL
Relative binding affinity	20.0 -	PMID12773029	ChEMBL

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