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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 | CHEMBL358335 |
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Molecular formula | C24H25ClN6O2 |
IUPAC name | 2-butyl-6-chloro-4-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4H-pyrimidine-5-carboxylic acid |
Molecular weight | 464.954 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 4.0 |
Synonyms | 2-Butyl-4-chloro-1,6-dihydro-1-[4-[2-(1H-tetrazol-5-yl)phenyl]benzyl]-6-methylpyrimidine-5-carboxylic acid BDBM50004154 SCHEMBL9126709 2-Butyl-4-chloro-6-methyl-1-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-1,6-dihydro-pyrimidine-5-carboxylic acid |
Inchi Key | FFGOUCLZEVSODP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C24H25ClN6O2/c1-3-4-9-20-26-22(25)21(24(32)33)15(2)31(20)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)23-27-29-30-28-23/h5-8,10-13,15H,3-4,9,14H2,1-2H3,(H,32,33)(H,27,28,29,30) |
PubChem CID | 10322229 |
ChEMBL | CHEMBL358335 |
IUPHAR | N/A |
BindingDB | 50004154 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
Parameter | Value | Reference | Database source |
---|---|---|---|
Kb | 0.45 nM | PMID21071232 | ChEMBL |
Ki | 1.0 nM | PMID21071232 | BindingDB,ChEMBL |
Ratio | 25.0 - | PMID21071232 | ChEMBL |
Ratio Ki | 10.0 - | PMID21071232 | ChEMBL |
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