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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 | candesartan |
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Molecular formula | C24H20N6O3 |
IUPAC name | 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid |
Molecular weight | 440.463 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 4.1 |
Synonyms | SR-05000001447-2 UNII-S8Q36MD2XX 2-Ethoxy-1-(p-(o-1H-tetrazol-5-ylphenyl)benzyl)-7-benzimidazolecarboxylic acid CHEMBL1016 2-ethoxy-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]-1H-benzimidazole-7-carboxylic acid [ Show all ] |
Inchi Key | HTQMVQVXFRQIKW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29) |
PubChem CID | 2541 |
ChEMBL | CHEMBL1016 |
IUPHAR | 587, 6907 |
BindingDB | 50240609 |
DrugBank | DB13919 |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
N/A | N/A | DrugBank | |
Affinity | 0.1 nM | PMID15974591 | ChEMBL |
AT1 affinity | 0.1 nM l-1 | PMID12773029 | ChEMBL |
Emax | 4.0 hr | PMID15974591 | ChEMBL |
IC50 | 0.19 - 0.32 nM | PMID10193788 | IUPHAR |
IC50 | 0.69 nM | PMID26824643 | BindingDB |
IC50 | 0.69 nM | PMID26824643 | ChEMBL |
IC50 | 10.72 nM | PMID26824643 | ChEMBL |
IC50 | 11.0 nM | PMID26824643 | BindingDB |
IC50 | 110.0 nM | PMID21071232 | BindingDB,ChEMBL |
Kd | 0.0512861 nM | PMID10079018 | IUPHAR |
Ki | 0.17 nM | PMID12570021 | BindingDB |
Ki | 3.5 nM | PMID26824643 | BindingDB,ChEMBL |
pD2 | 9.97 - | PMID21071232 | ChEMBL |
pKa | 3.9 - | PMID15974591 | ChEMBL |
Ratio Ki | 10.0 - | PMID21071232 | ChEMBL |
Relative binding affinity | 1.0 - | PMID12773029 | ChEMBL |
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