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GLASS

You can:

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	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

Ligand

Name	CHEMBL339672
Molecular formula	C35H32Cl2FN5O5S
IUPAC name	N-[2-[4-[[3-butyl-1-[2-chloro-5-(propanoylamino)phenyl]-5-oxo-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonyl-2-chlorobenzamide
Molecular weight	724.629
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	7.0
Synonyms	N-[4-Chloro-3-[[3-butyl-4,5-dihydro-5-oxo-4-[[3-fluoro-2'-[(2-chlorobenzoyl)sulfamoyl]biphenyl-4-yl]methyl]-1H-1,2,4-triazol]-1-yl]phenyl]propanamide BDBM50030692 SCHEMBL9141136 5-n-Butyl-4-[[2'-[N-(2-chlorobenzoyl)sulfamoyl]-3-fluorobiphenyl-4-yl]methyl]-2-[2-chloro-5-(propionylamino)-phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one CFMUZUVRPWGTOR-UHFFFAOYSA-N N-(3-{3-Butyl-4-[2''-(2-chloro-benzoylsulfamoyl)-3-fluoro-biphenyl-4-ylmethyl]-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl}-4-chloro-phenyl)-propionamide [ Show all ]
Inchi Key	CFMUZUVRPWGTOR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C35H32Cl2FN5O5S/c1-3-5-14-32-40-43(30-20-24(17-18-28(30)37)39-33(44)4-2)35(46)42(32)21-23-16-15-22(19-29(23)38)25-10-7-9-13-31(25)49(47,48)41-34(45)26-11-6-8-12-27(26)36/h6-13,15-20H,3-5,14,21H2,1-2H3,(H,39,44)(H,41,45)
PubChem CID	10032820
ChEMBL	CHEMBL339672
IUPHAR	N/A
BindingDB	50030692
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	0.072 nM	Med Chem Res, (2012) 21:10:2837, PMID7562905	ChEMBL
IC50	0.072 nM	PMID7562905	BindingDB
IC50	0.07211 nM	Med Chem Res, (2012) 21:10:2837	ChEMBL

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