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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	CHEMBL313222
Molecular formula	C29H31N7O
IUPAC name	5-butyl-2-(3-phenylpropyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
Molecular weight	493.615
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.6
Synonyms	5-Butyl-2-(3-phenyl-propyl)-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one BDBM50044364 L006303 5-Butyl-2-(3-phenyl-propyl)-4-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one 4-[[2'-(1H-Tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]-2-(3-phenylpropyl)-5-butyl-2H-1,2,4-triazol-3(4H)-one SCHEMBL7399866 [ Show all ]
Inchi Key	CSQXFYGNSGJKRX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H31N7O/c1-2-3-15-27-32-36(20-9-12-22-10-5-4-6-11-22)29(37)35(27)21-23-16-18-24(19-17-23)25-13-7-8-14-26(25)28-30-33-34-31-28/h4-8,10-11,13-14,16-19H,2-3,9,12,15,20-21H2,1H3,(H,30,31,33,34)
PubChem CID	14956804
ChEMBL	CHEMBL313222
IUPHAR	N/A
BindingDB	50044364
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	11.0 nM	PMID8355255	BindingDB,ChEMBL

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