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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 | MLS001116146 |
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Molecular formula | C20H18ClN3O5S |
IUPAC name | 2-benzylsulfonyl-5-chloro-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide |
Molecular weight | 447.89 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 3.0 |
Synonyms | AKOS001519004 SMR000625769 2-(benzylsulfonyl)-5-chloro-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide CHEMBL1404578 5-chloro-N-(2,5-dimethoxyphenyl)-2-(phenylmethyl)sulfonyl-4-pyrimidinecarboxamide [ Show all ] |
Inchi Key | IIVFQIWIHKVKTD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H18ClN3O5S/c1-28-14-8-9-17(29-2)16(10-14)23-19(25)18-15(21)11-22-20(24-18)30(26,27)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,23,25) |
PubChem CID | 16446380 |
ChEMBL | CHEMBL1404578 |
IUPHAR | N/A |
BindingDB | 67359 |
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 | 5868.0 nM | , PubChem BioAssay data set | BindingDB,ChEMBL |
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