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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	SR-01000300690
Molecular formula	C22H22N4O3
IUPAC name	methyl 6-(benzimidazol-1-ylmethyl)-4-(2,5-dimethylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Molecular weight	390.443
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.5
Synonyms	AKOS022023094 MLS002548737 HMS2311O16 SR-01000300690-1 methyl 6-(1H-1,3-benzimidazol-1-ylmethyl)-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate STL435841 MolPort-002-299-423 MCULE-1473425104 SR-01000300690-4 AC1MGAWA methyl 6-(1H-benzimidazol-1-ylmethyl)-4-(2,5-dimethylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate CHEMBL1602422 methyl 4-(benzimidazolylmethyl)-6-(2,5-dimethylphenyl)-2-oxo-1,3,6-trihydropyr imidine-5-carboxylate ST058508 [ Show all ]
Inchi Key	ABZOSAGKSZSRQP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H22N4O3/c1-13-8-9-14(2)15(10-13)20-19(21(27)29-3)17(24-22(28)25-20)11-26-12-23-16-6-4-5-7-18(16)26/h4-10,12,20H,11H2,1-3H3,(H2,24,25,28)
PubChem CID	2983279
ChEMBL	CHEMBL1602422
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<100000.0 nM	PubChem BioAssay data set	ChEMBL

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