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Name | Type-1 angiotensin II receptor |
---|---|
Species | Oryctolagus cuniculus (Rabbit) |
Gene | AGTR1 |
Synonym | Angiotensin II type-1 receptor AT1 |
Disease | N/A for non-human GPCRs |
Length | 359 |
Amino acid sequence | MMLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLAVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPAIIHRNVFFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFLFPFLIILTSYTLIWKALKKAYEIQKNKPRNDDIFKIIMAIVLFFFFSWVPHQIFTFLDVLIQLGVIHDCRIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSDNVSSSSKKPVPCFEVE |
UniProt | P34976 |
Protein Data Bank | N/A |
GPCR-HGmod model | N/A |
3D structure model | No available structures or models |
BioLiP | N/A |
Therapeutic Target Database | N/A |
ChEMBL | CHEMBL3948 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL15729 |
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Molecular formula | C28H28ClN3O3 |
IUPAC name | 2-[2-chloro-4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]-6-prop-2-enylphenoxy]-2-phenylacetic acid |
Molecular weight | 490.0 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 6.9 |
Synonyms | [2-Allyl-6-chloro-4-(2-ethyl-5,7-dimethyl-imidazo[4,5-b]pyridin-3-ylmethyl)-phenoxy]-phenyl-acetic acid BDBM50284439 3-[4-(1-carboxy-1-phenylmethoxy )-3-chloro-5-(prop -2-ene-1-yl)phenylmethyl]-5,7-dimethyl-2-ethyl-3H-imidazo[4,5-b]-pyridine BLNGJVAUJVYIMH-UHFFFAOYSA-N SCHEMBL9307592 |
Inchi Key | BLNGJVAUJVYIMH-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H28ClN3O3/c1-5-10-21-14-19(16-32-23(6-2)31-24-17(3)13-18(4)30-27(24)32)15-22(29)25(21)35-26(28(33)34)20-11-8-7-9-12-20/h5,7-9,11-15,26H,1,6,10,16H2,2-4H3,(H,33,34) |
PubChem CID | 18950607 |
ChEMBL | CHEMBL15729 |
IUPHAR | N/A |
BindingDB | 50284439 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 2.2 nM | Bioorg. Med. Chem. Lett., (1995) 5:11:1151, | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417