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Name | Type-1 angiotensin II receptor |
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Species | Bos taurus (Bovine) |
Gene | AGTR1 |
Synonym | Angiotensin II type-1 receptor AT1 |
Disease | N/A for non-human GPCRs |
Length | 359 |
Amino acid sequence | MILNSSTEDGIKRIQDDCPKAGRHNYIFIMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNYLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLLAGLASLPTIIHRNVFFIENTNITVCAFHYESQNSTLPVGLGLTKNILGFLFPFLIILTSYTLIWKTLKKAYEIQKNKPRKDDIFKIILAIVLFFFFSWVPHQIFTFMDVLIQLGLIRDCKIEDIVDTAMPITICLAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPKAKSHSNLSTKMSTLSYRPSENGNSSTKKPAPCIEVE |
UniProt | P25104 |
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 | CHEMBL3374 |
IUPHAR | N/A |
DrugBank | N/A |
Name | CHEMBL45805 |
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Molecular formula | C33H33N7O4 |
IUPAC name | (2S,3aR)-2-[2-butyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-b][1,2]oxazole-2-carboxylic acid |
Molecular weight | 591.672 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 2 |
XlogP | 2.5 |
Synonyms | (2S,3aR)-2-{2-Butyl-4-oxo-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3,4-dihydro-quinazolin-6-yl}-hexahydro-pyrrolo[1,2-b]isoxazole-2-carboxylic acid BDBM50282807 |
Inchi Key | GXXPCSPJFNSFDW-IANOAQMISA-N |
Inchi ID | InChI=1S/C33H33N7O4/c1-2-3-10-29-34-28-16-15-23(33(32(42)43)19-24-7-6-17-40(24)44-33)18-27(28)31(41)39(29)20-21-11-13-22(14-12-21)25-8-4-5-9-26(25)30-35-37-38-36-30/h4-5,8-9,11-16,18,24H,2-3,6-7,10,17,19-20H2,1H3,(H,42,43)(H,35,36,37,38)/t24-,33+/m1/s1 |
PubChem CID | 18666499 |
ChEMBL | CHEMBL45805 |
IUPHAR | N/A |
BindingDB | 50282807 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
Parameter | Value | Reference | Database source |
---|---|---|---|
IC50 | 46.0 nM | , Bioorg. Med. Chem. Lett., (1994) 4:14:1703 | BindingDB,ChEMBL |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417