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Name | Type-1 angiotensin II receptor |
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Species | Homo sapiens (Human) |
Gene | AGTR1 |
Synonym | Type-1 angiotensin II receptor HAT1R Agtr-1a type-1A angiotensin II receptor AT1 [ Show all ] |
Disease | Metabolic syndrome x Myocardial infarction Hypertension Restenosis Alzheimer disease [ 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 |
Name | CHEMBL2158271 |
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Molecular formula | C19H15N3O8S |
IUPAC name | [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 4,5-dimethoxy-2-nitrobenzoate |
Molecular weight | 445.402 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 0 |
XlogP | 2.1 |
Synonyms | 877637-84-8 MolPort-003-127-802 ZINC9829336 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 4,5-dimethoxy-2-nitrobenzoate MCULE-6107856031 [ Show all ] |
Inchi Key | BJZYCHKZQGDNSB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H15N3O8S/c1-27-15-7-12(13(22(25)26)8-16(15)28-2)18(24)30-17-9-29-11(6-14(17)23)10-31-19-20-4-3-5-21-19/h3-9H,10H2,1-2H3 |
PubChem CID | 18572395 |
ChEMBL | CHEMBL2158271 |
IUPHAR | N/A |
BindingDB | 50393901 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | <79000.0 nM | PMID23010269 | BindingDB,ChEMBL |
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