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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	Beta-2 adrenergic receptor
Species	Cavia porcellus (Guinea pig)
Gene	Adrb2
Synonym	Beta-2 adrenoceptor Beta-2 adrenoreceptor
Disease	N/A for non-human GPCRs
Length	418
Amino acid sequence	MGHLGNGSDFLLAPNASHAPDHNVTRERDEAWVVGMAIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGASHILMNMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVVILMVWVVSGLTSFLPIQMHWYRATHKDAINCYAEETCCDFFTNQAYAIASSIVSFYLPLVVMVFVYSRVFQVAKKQLQKIDRSEGRFHTQNLSQVEQDGRSGHGLRRSSKFYLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIPKEVYILLNWVGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSALKAYGNDCSSNSNGKTDYTGEPNVCHQGQEKERELLCEDPPGTEDLVSCPGTVPSDSIDSQGRNYSTNDSLL
UniProt	Q8K4Z4
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	CHEMBL5414
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL545575
Molecular formula	C16H24N2O2
IUPAC name	1-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]oxy-3-(propan-2-ylamino)propan-2-ol
Molecular weight	276.38
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.4
Synonyms	BDBM50404485 CHEMBL1194069
Inchi Key	CVFFXSDVXHTRJV-BFHPBESDSA-N
Inchi ID	InChI=1S/C16H24N2O2/c1-13(2)17-11-16(19)12-20-18-14(3)9-10-15-7-5-4-6-8-15/h4-10,13,16-17,19H,11-12H2,1-3H3/b10-9+,18-14+
PubChem CID	12606703
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50404485
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Kd	758.58 nM	PMID6104730	BindingDB

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