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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 | CHEMBL70770 |
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Molecular formula | C27H31N7O4 |
IUPAC name | 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid |
Molecular weight | 517.59 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 4.0 |
Synonyms | BDBM50283181 5-(tert-Butoxycarbonylamino-methyl)-2-propyl-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-imidazole-4-carboxylic acid |
Inchi Key | CLEHJTRAGJJQHS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H31N7O4/c1-5-8-22-29-21(15-28-26(37)38-27(2,3)4)23(25(35)36)34(22)16-17-11-13-18(14-12-17)19-9-6-7-10-20(19)24-30-32-33-31-24/h6-7,9-14H,5,8,15-16H2,1-4H3,(H,28,37)(H,35,36)(H,30,31,32,33) |
PubChem CID | 44311607 |
ChEMBL | CHEMBL70770 |
IUPHAR | N/A |
BindingDB | 50283181 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 6.0 nM | , Bioorg. Med. Chem. Lett., (1994) 4:18:2229 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417