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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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, 12e
Molecular formula	C25H35N7O7
IUPAC name	N-[5-[2-[6-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]hexylamino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide
Molecular weight	545.597
Hydrogen bond acceptor	12
Hydrogen bond donor	8
XlogP	0.3
Synonyms	CHEMBL524037 N-[2-Hydroxy-5-[1-hydroxy-2-[[6-(adenosine-N-yl)hexyl]amino]ethyl]phenyl]formamide N-[5-(2-{[6-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)hexyl]amino}-1-hydroxyethyl)-2-hydroxyphenyl]formamide BDBM25398
Inchi Key	RYVVFUHRFAJPCC-NDIYSDBASA-N
Inchi ID	InChI=1S/C25H35N7O7/c33-11-19-21(37)22(38)25(39-19)32-13-30-20-23(28-12-29-24(20)32)27-8-4-2-1-3-7-26-10-18(36)15-5-6-17(35)16(9-15)31-14-34/h5-6,9,12-14,18-19,21-22,25-26,33,35-38H,1-4,7-8,10-11H2,(H,31,34)(H,27,28,29)/t18?,19-,21-,22-,25-/m1/s1
PubChem CID	25023952
ChEMBL	CHEMBL524037
IUPHAR	N/A
BindingDB	25398
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
EC50	6.0 nM	PMID18783211	ChEMBL
Ki	311.0 nM	PMID18783211	ChEMBL
Ratio	51.8 -	PMID18783211	ChEMBL

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