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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 | CHEMBL304620 |
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Molecular formula | C33H44N4O6S |
IUPAC name | 5-[[butanoyl(butyl)amino]methyl]-3-[[4-[2-(butanoylsulfamoyl)phenyl]phenyl]methyl]-2-propylimidazole-4-carboxylic acid |
Molecular weight | 624.797 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 5.3 |
Synonyms | BDBM50283162 5-[(Butyl-butyryl-amino)-methyl]-3-(2''-butyrylsulfamoyl-biphenyl-4-ylmethyl)-2-propyl-3H-imidazole-4-carboxylic acid |
Inchi Key | FURKQPPGTMILKC-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C33H44N4O6S/c1-5-9-21-36(31(39)14-8-4)23-27-32(33(40)41)37(29(34-27)12-6-2)22-24-17-19-25(20-18-24)26-15-10-11-16-28(26)44(42,43)35-30(38)13-7-3/h10-11,15-20H,5-9,12-14,21-23H2,1-4H3,(H,35,38)(H,40,41) |
PubChem CID | 44311662 |
ChEMBL | CHEMBL304620 |
IUPHAR | N/A |
BindingDB | 50283162 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
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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