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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 | CHEMBL341369 |
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Molecular formula | C34H39BrFN5O6S |
IUPAC name | tert-butyl N-[2-[4-[[1-[2-bromo-5-(pentanoylamino)phenyl]-5-oxo-3-propyl-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonylcarbamate |
Molecular weight | 744.677 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 6.5 |
Synonyms | BDBM50030730 Pentanoic acid {4-bromo-3-[4-(3-fluoro-2''-(N-t-butyloxycarbonyl)-Sulfanamido-biphenyl-4-ylmethyl)-5-oxo-3-propyl-4,5-dihydro-[1,2,4]triazol-1-yl]-phenyl}-amide |
Inchi Key | DIKNHFNGFPAMID-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C34H39BrFN5O6S/c1-6-8-14-31(42)37-24-17-18-26(35)28(20-24)41-33(44)40(30(38-41)11-7-2)21-23-16-15-22(19-27(23)36)25-12-9-10-13-29(25)48(45,46)39-32(43)47-34(3,4)5/h9-10,12-13,15-20H,6-8,11,14,21H2,1-5H3,(H,37,42)(H,39,43) |
PubChem CID | 10259468 |
ChEMBL | CHEMBL341369 |
IUPHAR | N/A |
BindingDB | 50030730 |
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 |
---|---|---|---|
IC50 | 0.43 nM | PMID7562905 | BindingDB,ChEMBL |
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