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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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GPCR

Name	Beta-2 adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adrb2
Synonym	beta2-adrenoceptor Beta-2 adrenoreceptor Beta-2 adrenoceptor beta-2 adrenergic receptor beta 2-AR B2AR adrenoceptor beta 2, surface adrenergic receptor ADRBR ADRB2R Adrb-2 Gpcr7 [ Show all ]
Disease	N/A for non-human GPCRs
Length	418
Amino acid sequence	MEPHGNDSDFLLAPNGSRAPGHDITQERDEAWVVGMAILMSVIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGASHILMKMWNFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYVAITSPFKYQSLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRATHKQAIDCYAKETCCDFFTNQAYAIASSIVSFYVPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNLSQVEQDGRSGHGLRSSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIRANLIPKEVYILLNWLGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSSSKTYGNGYSSNSNGRTDYTGEQSAYQLGQEKENELLCEEAPGMEGFVNCQGTVPSLSIDSQGRNCNTNDSPL
UniProt	P10608
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	CHEMBL3754
IUPHAR	29
DrugBank	N/A

Ligand

Name	PD 109394
Molecular formula	C18H23FN4O2
IUPAC name	2-(diethylamino)-N-[4-(2-fluorobenzoyl)-2,5-dimethylpyrazol-3-yl]acetamide
Molecular weight	346.406
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.9
Synonyms	UNII-257Z6WWW6D 2-(Diethylamino)-N-[4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl]acetamide CCRIS 1810 257Z6WWW6D DTXSID50235042 AC1L1RVB PD-109394 2-(diethylamino)-N-[4-(2-fluorobenzoyl)-2,5-dimethylpyrazol-3-yl]acetamide LS-188807 SCHEMBL11193510 BDBM50019457 2-Diethylamino-N-[4-(2-fluoro-benzoyl)-2,5-dimethyl-2H-pyrazol-3-yl]-acetamide CHEMBL42084 85747-92-8 [ Show all ]
Inchi Key	LJVLWBNWPQLYFD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H23FN4O2/c1-5-23(6-2)11-15(24)20-18-16(12(3)21-22(18)4)17(25)13-9-7-8-10-14(13)19/h7-10H,5-6,11H2,1-4H3,(H,20,24)
PubChem CID	59750
ChEMBL	CHEMBL42084
IUPHAR	N/A
BindingDB	50019457
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<10000.0 nM	PMID2875184	BindingDB,ChEMBL

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