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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 | CHEMBL2158279 |
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Molecular formula | C19H16N2O5S |
IUPAC name | [6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methoxybenzoate |
Molecular weight | 384.406 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 0 |
XlogP | 2.7 |
Synonyms | [6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] 4-methoxybenzoate 877635-50-2 MLS-0437380.0001 BDBM50393930 SR-01000020322-1 [ Show all ] |
Inchi Key | DJVWNJGZKGYOTJ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C19H16N2O5S/c1-12-7-8-20-19(21-12)27-11-15-9-16(22)17(10-25-15)26-18(23)13-3-5-14(24-2)6-4-13/h3-10H,11H2,1-2H3 |
PubChem CID | 7217879 |
ChEMBL | CHEMBL2158279 |
IUPHAR | N/A |
BindingDB | 50393930 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
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IC50 | <79000.0 nM | PMID23010269 | BindingDB,ChEMBL |
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