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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Type-1 angiotensin II receptor
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

Ligand

Name	CHEMBL295695
Molecular formula	C33H35N7O2
IUPAC name	6-[(2S,3aR)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridin-2-yl]-2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-4-one
Molecular weight	561.69
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.5
Synonyms	(Cis)-2-Butyl-6-(hexahydro-2H-isoxazolo[2,3-a]pyridin-2-yl)-3-[[2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl]methyl]-4(3H)-quinazolinone BDBM50282802 2-Butyl-6-(2S,3aR)-hexahydro-isoxazolo[2,3-a]pyridin-2-yl-3-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-quinazolin-4-one CAWNZVPASQNMIX-RNAHPLFWSA-N SCHEMBL9295045
Inchi Key	CAWNZVPASQNMIX-RNAHPLFWSA-N
Inchi ID	InChI=1S/C33H35N7O2/c1-2-3-11-31-34-29-17-16-24(30-20-25-8-6-7-18-40(25)42-30)19-28(29)33(41)39(31)21-22-12-14-23(15-13-22)26-9-4-5-10-27(26)32-35-37-38-36-32/h4-5,9-10,12-17,19,25,30H,2-3,6-8,11,18,20-21H2,1H3,(H,35,36,37,38)/t25-,30+/m1/s1
PubChem CID	15229102
ChEMBL	CHEMBL295695
IUPHAR	N/A
BindingDB	50282802
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	38.0 nM	, Bioorg. Med. Chem. Lett., (1994) 4:14:1703	BindingDB,ChEMBL

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