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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.
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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, 12c
Molecular formula	C23H31N7O7
IUPAC name	N-[5-[2-[4-[[9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]butylamino]-1-hydroxyethyl]-2-hydroxyphenyl]formamide
Molecular weight	517.543
Hydrogen bond acceptor	12
Hydrogen bond donor	8
XlogP	-0.4
Synonyms	BDBM25396 CHEMBL462273 N-[5-(2-{[4-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)butyl]amino}-1-hydroxyethyl)-2-hydroxyphenyl]formamide
Inchi Key	BUDKUWZRNIESPK-OPIJFSDVSA-N
Inchi ID	InChI=1S/C23H31N7O7/c31-9-17-19(35)20(36)23(37-17)30-11-28-18-21(26-10-27-22(18)30)25-6-2-1-5-24-8-16(34)13-3-4-15(33)14(7-13)29-12-32/h3-4,7,10-12,16-17,19-20,23-24,31,33-36H,1-2,5-6,8-9H2,(H,29,32)(H,25,26,27)/t16?,17-,19-,20-,23-/m1/s1
PubChem CID	25023950
ChEMBL	CHEMBL462273
IUPHAR	N/A
BindingDB	25396
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	32.0 nM	PMID18783211	ChEMBL
Ki	863.0 nM	PMID18783211	ChEMBL
Ratio	26.9 -	PMID18783211	ChEMBL

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