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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 | SMR000160170 |
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Molecular formula | C13H22BrN5OS |
IUPAC name | 1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-3-butylthiourea |
Molecular weight | 376.317 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 3 |
XlogP | 2.1 |
Synonyms | MCULE-7342679811 1-[3-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-butyl-thiourea BDBM67193 1-[[3-(4-bromo-3,5-dimethyl-1-pyrazolyl)-1-oxopropyl]amino]-3-butylthiourea cid_3711958 [ Show all ] |
Inchi Key | AJROVUWRGYOUKB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C13H22BrN5OS/c1-4-5-7-15-13(21)17-16-11(20)6-8-19-10(3)12(14)9(2)18-19/h4-8H2,1-3H3,(H,16,20)(H2,15,17,21) |
PubChem CID | 3711958 |
ChEMBL | CHEMBL1370701 |
IUPHAR | N/A |
BindingDB | 67193 |
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 | <40000.0 nM | PubChem BioAssay data set | ChEMBL |
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