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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 | CHEMBL309165 |
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Molecular formula | C30H32N10O2 |
IUPAC name | 2-propyl-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid |
Molecular weight | 564.654 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 2 |
XlogP | 1.3 |
Synonyms | 2-Propyl-5-(4-pyrimidin-2-yl-piperazin-1-ylmethyl)-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-imidazole-4-carboxylic acid BDBM50283183 |
Inchi Key | AXWUCCRVXUGJIS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C30H32N10O2/c1-2-6-26-33-25(20-38-15-17-39(18-16-38)30-31-13-5-14-32-30)27(29(41)42)40(26)19-21-9-11-22(12-10-21)23-7-3-4-8-24(23)28-34-36-37-35-28/h3-5,7-14H,2,6,15-20H2,1H3,(H,41,42)(H,34,35,36,37) |
PubChem CID | 15222092 |
ChEMBL | CHEMBL309165 |
IUPHAR | N/A |
BindingDB | 50283183 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 2.0 nM | , Bioorg. Med. Chem. Lett., (1994) 4:18:2229 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417