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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.
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GPCR

Name	Type-1B angiotensin II receptor
Species	Rattus norvegicus (Rat)
Gene	Agtr1b
Synonym	Angiotensin II type-1B receptor AT1B AT3
Disease	N/A for non-human GPCRs
Length	359
Amino acid sequence	MTLNSSTEDGIKRIQDDCPKAGRHNYIFVMIPTLYSIIFVVGIFGNSLVVIVIYFYMKLKTVASVFLLNLALADLCFLLTLPLWAVYTAMEYRWPFGNHLCKIASASVSFNLYASVFLLTCLSIDRYLAIVHPMKSRLRRTMLVAKVTCIIIWLMAGLASLPAVIYRNVYFIENTNITVCAFHYESQNSTLPIGLGLTKNILGFVFPFLIILTSYTLIWKALKKAYKIQKNTPRNDDIFRIIMAIVLFFFFSWVPHQIFTFLDVLIQLGIIRDCEIADIVDTAMPITICIAYFNNCLNPLFYGFLGKKFKKYFLQLLKYIPPTAKSHAGLSTKMSTLSYRPSDNMSSSAKKSASFFEVE
UniProt	P29089
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	CHEMBL263
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL422593
Molecular formula	C27H27N7O
IUPAC name	2-benzyl-5-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
Molecular weight	465.561
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.8
Synonyms	L005683 4-[[2'-(1H-Tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]-2-benzyl-5-butyl-2H-1,2,4-triazol-3(4H)-one SCHEMBL7833154 2-Benzyl-5-butyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one 2-Benzyl-5-butyl-4-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one BDBM50044344 [ Show all ]
Inchi Key	CLIGTAMVAYBTCT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H27N7O/c1-2-3-13-25-30-34(19-20-9-5-4-6-10-20)27(35)33(25)18-21-14-16-22(17-15-21)23-11-7-8-12-24(23)26-28-31-32-29-26/h4-12,14-17H,2-3,13,18-19H2,1H3,(H,28,29,31,32)
PubChem CID	10183373
ChEMBL	CHEMBL422593
IUPHAR	N/A
BindingDB	50044344
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	16.0 nM	PMID8340920	BindingDB,ChEMBL

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