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GLASS

You can:

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, 12a
Molecular formula	C21H27N7O7
IUPAC name	N-[5-[2-[2-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide
Molecular weight	489.489
Hydrogen bond acceptor	12
Hydrogen bond donor	8
XlogP	-1.1
Synonyms	BDBM25394 CHEMBL517259 N-[5-(2-{[2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)ethyl]amino}-1-hydroxyethyl)-2-hydroxyphenyl]formamide
Inchi Key	CFGOIPCVIXHOLU-BWZSZYTASA-N
Inchi ID	InChI=1S/C21H27N7O7/c29-7-15-17(33)18(34)21(35-15)28-9-26-16-19(24-8-25-20(16)28)23-4-3-22-6-14(32)11-1-2-13(31)12(5-11)27-10-30/h1-2,5,8-10,14-15,17-18,21-22,29,31-34H,3-4,6-7H2,(H,27,30)(H,23,24,25)/t14?,15-,17-,18-,21-/m1/s1
PubChem CID	25023948
ChEMBL	CHEMBL517259
IUPHAR	N/A
BindingDB	25394
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.

Experimental Data

Parameter	Value	Reference	Database source
Activity	15.0 %	PMID18783211	ChEMBL
Inhibition	20.0 %	PMID18783211	ChEMBL
Ki	<10000.0 nM	PMID18783211	ChEMBL

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