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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 | CHEMBL2158335 |
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Molecular formula | C18H16N2O5S2 |
IUPAC name | [6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] benzenesulfonate |
Molecular weight | 404.455 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 0 |
XlogP | 2.9 |
Synonyms | BDBM50393940 MLS-0445741.0001 |
Inchi Key | BAQOXYVLSPRIFX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H16N2O5S2/c1-12-8-13(2)20-18(19-12)26-11-14-9-16(21)17(10-24-14)25-27(22,23)15-6-4-3-5-7-15/h3-10H,11H2,1-2H3 |
PubChem CID | 49787117 |
ChEMBL | CHEMBL2158335 |
IUPHAR | N/A |
BindingDB | 50393940 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | <79000.0 nM | PMID23010269 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218