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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	(S)-Metoprolol
Molecular formula	C15H25NO3
IUPAC name	(2S)-1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
Molecular weight	267.369
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.9
Synonyms	(2S)-1-[4-(2-Methoxyethyl)phenoxy]-3-[(1-methylethyl)amino]-2-propanol 81024-42-2 API0005937 IUBSYMUCCVWXPE-AWEZNQCLSA-N ZINC1530717 AC1L4IJQ MCULE-4106696689 (-)metoprolol 2-Propanol, 1-(4-(2-methoxyethyl)phenoxy)-3-((1-methylethyl)amino)-, (2S)- AKOS016008513 DTXSID60230861 TC-161973 (S)-(-)-Metoprolol BDBM81881 KB-210701 (S)-Metoprorol AE-562/11525411 CHEMBL148306 s-metoprolol (2S)-1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol 2587AC ANW-73228 FT-0672383 UNII-GEB06NHM23 component IUBSYMUCCVWXPE-AWEZNQCLSA-N (S)-1-(Isopropylamino)-3-(4-(2-methoxyethyl)phenoxy)propan-2-ol 91324-86-6 C-23812 l-Metoprolol (-)-Metoprolol 1-(Isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]-2-propanol AJ-26685 CTK8C4817 SCHEMBL121589 [ Show all ]
Inchi Key	IUBSYMUCCVWXPE-AWEZNQCLSA-N
Inchi ID	InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3/t14-/m0/s1
PubChem CID	157716
ChEMBL	CHEMBL148306
IUPHAR	N/A
BindingDB	81881
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	95.5 nM	PMID6126588	BindingDB,ChEMBL

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