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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	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	CHEMBL338434
Molecular formula	C36H41F4N5O6S
IUPAC name	tert-butyl N-[2-[4-[[3-butyl-5-oxo-1-[5-(pentanoylamino)-2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]-3-fluorophenyl]phenyl]sulfonylcarbamate
Molecular weight	747.807
Hydrogen bond acceptor	11
Hydrogen bond donor	2
XlogP	7.3
Synonyms	SCHEMBL9399146 AADDKLKFCNPPIE-UHFFFAOYSA-N 4-[[2'-[N-(t-Butoxycarbonyl)sulfamoyl]-3-fluorobiphenyl-4-yl]methyl]-5-n-butyl-2,4-dihydro-2-[2-(trifluoromethyl)-5-(valerylamino)phenyl]-3H-1,2,4-triazol-3-one BDBM50030709 Pentanoic acid {3-[3-butyl-4-(3-fluoro-2''-(N-t-butyloxycarbonyl)-Sulfanamido-biphenyl-4-ylmethyl)-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl]-4-trifluoromethyl-phenyl}-amide
Inchi Key	AADDKLKFCNPPIE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C36H41F4N5O6S/c1-6-8-14-31-42-45(29-21-25(41-32(46)15-9-7-2)18-19-27(29)36(38,39)40)34(48)44(31)22-24-17-16-23(20-28(24)37)26-12-10-11-13-30(26)52(49,50)43-33(47)51-35(3,4)5/h10-13,16-21H,6-9,14-15,22H2,1-5H3,(H,41,46)(H,43,47)
PubChem CID	10032988
ChEMBL	CHEMBL338434
IUPHAR	N/A
BindingDB	50030709
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. 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	0.42 nM	Med Chem Res, (2012) 21:10:2837, PMID7562905	ChEMBL
IC50	0.42 nM	PMID7562905	BindingDB
IC50	0.4207 nM	Med Chem Res, (2012) 21:10:2837	ChEMBL

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