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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 | CHEMBL311386 |
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Molecular formula | C34H40FN5O6S |
IUPAC name | N-[2-[4-[[2-ethyl-6-[[methyl(propan-2-yl)carbamoyl]amino]-4-oxoquinazolin-3-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-(2-methylpropoxy)acetamide |
Molecular weight | 665.781 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 4.5 |
Synonyms | BDBM50283307 4''-[2-Ethyl-6-(3-isopropyl-3-methyl-ureido)-4-oxo-4H-quinazolin-3-ylmethyl]-3''-fluoro-biphenyl-2-sulfonic acid (2-isobutoxy-acetyl)-amide |
Inchi Key | BAECZQGANVQWAS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C34H40FN5O6S/c1-7-31-37-29-15-14-25(36-34(43)39(6)22(4)5)17-27(29)33(42)40(31)18-24-13-12-23(16-28(24)35)26-10-8-9-11-30(26)47(44,45)38-32(41)20-46-19-21(2)3/h8-17,21-22H,7,18-20H2,1-6H3,(H,36,43)(H,38,41) |
PubChem CID | 44315344 |
ChEMBL | CHEMBL311386 |
IUPHAR | N/A |
BindingDB | 50283307 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
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IC50 | 65.0 nM | , Bioorg. Med. Chem. Lett., (1994) 4:19:2337 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417