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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	MLS000083273
Molecular formula	C23H30N6O4
IUPAC name	9-(3-methoxyphenyl)-1,7-dimethyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione
Molecular weight	454.531
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	1.7
Synonyms	9-(3-methoxyphenyl)-1,7-dimethyl-3-(2-morpholin-4-ylethyl)-1,3,5-trihydro-6H,7 H,8H-1,3-diazaperhydroino[1,2-h]purine-2,4-dione AKOS016337474 MLS002584193 9-(3-methoxyphenyl)-1,7-dimethyl-3-[2-(4-morpholinyl)ethyl]-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CHEMBL1543154 ST51077086 AC1LDGZ3 MCULE-2256929506 9-(3-methoxyphenyl)-1,7-dimethyl-3-(2-morpholin-4-ylethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione BDBM67151 MolPort-002-643-536 9-(3-methoxyphenyl)-1,7-dimethyl-3-[2-(morpholin-4-yl)ethyl]-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione cid_666914 STK581265 848206-61-1 AKOS001299554 9-(3-methoxyphenyl)-1,7-dimethyl-3-(2-morpholinoethyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone SMR000048212 9-(3-methoxyphenyl)-1,7-dimethyl-3-[2-(morpholin-4-yl)ethyl]-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione HMS2412A21 Z223843850 [ Show all ]
Inchi Key	CVSSLUCDGJDGHX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H30N6O4/c1-16-14-28(17-5-4-6-18(13-17)32-3)22-24-20-19(29(22)15-16)21(30)27(23(31)25(20)2)8-7-26-9-11-33-12-10-26/h4-6,13,16H,7-12,14-15H2,1-3H3
PubChem CID	666914
ChEMBL	CHEMBL1543154
IUPHAR	N/A
BindingDB	67151
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	<40000.0 nM	PubChem BioAssay data set	ChEMBL

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