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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	Mesocricetus auratus (Golden hamster)
Gene	ADRB2
Synonym	Beta-2 adrenoceptor Beta-2 adrenoreceptor
Disease	N/A for non-human GPCRs
Length	418
Amino acid sequence	MGPPGNDSDFLLTTNGSHVPDHDVTEERDEAWVVGMAILMSVIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGASHILMKMWNFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYIAITSPFKYQSLLTKNKARMVILMVWIVSGLTSFLPIQMHWYRATHQKAIDCYHKETCCDFFTNQAYAIASSIVSFYVPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHSPNLGQVEQDGRSGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIPKEVYILLNWLGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSSSKAYGNGYSSNSNGKTDYMGEASGCQLGQEKESERLCEDPPGTESFVNCQGTVPSLSLDSQGRNCSTNDSPL
UniProt	P04274
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	CHEMBL5943
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Bivalent derivative, 18
Molecular formula	C25H35N7O9
IUPAC name	N-[5-[2-[2-[2-[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]ethoxy]ethoxy]ethylamino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide
Molecular weight	577.595
Hydrogen bond acceptor	14
Hydrogen bond donor	8
XlogP	-1.4
Synonyms	N-[5-(1-{9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}-12-hydroxy-4,7-dioxa-1,10-diazadodecan-12-yl)-2-hydroxyphenyl]formamide BDBM25399 CHEMBL493489
Inchi Key	WOQFITNYMZQCRI-NDIYSDBASA-N
Inchi ID	InChI=1S/C25H35N7O9/c33-11-19-21(37)22(38)25(41-19)32-13-30-20-23(28-12-29-24(20)32)27-4-6-40-8-7-39-5-3-26-10-18(36)15-1-2-17(35)16(9-15)31-14-34/h1-2,9,12-14,18-19,21-22,25-26,33,35-38H,3-8,10-11H2,(H,31,34)(H,27,28,29)/t18?,19-,21-,22-,25-/m1/s1
PubChem CID	25023953
ChEMBL	CHEMBL493489
IUPHAR	N/A
BindingDB	25399
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Activity	70.0 %	PMID18783211	ChEMBL
EC50	177.0 nM	PMID18783211	ChEMBL
Ki	2296.0 nM	PMID18783211	ChEMBL
Ratio	12.9 -	PMID18783211	ChEMBL

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