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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	Mus musculus (Mouse)
Gene	Adrb2
Synonym	beta2-adrenoceptor beta-2 adrenoreceptor Beta-2 adrenoceptor beta-2 adrenergic receptor Adrb-2 beta 2-AR B2AR adrenoceptor beta 2, surface adrenergic receptor ADRBR ADRB2R Gpcr7 [ Show all ]
Disease	N/A for non-human GPCRs
Length	418
Amino acid sequence	MGPHGNDSDFLLAPNGSRAPDHDVTQERDEAWVVGMAILMSVIVLAIVFGNVLVITAIAKFERLQTVTNYFIISLACADLVMGLAVVPFGASHILMKMWNFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYVAITSPFKYQSLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRATHKKAIDCYTEETCCDFFTNQAYAIASSIVSFYVPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNLSQVEQDGRSGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIRDNLIPKEVYILLNWLGYVNSAFNPLIYCRSPDFRIAFQELLCLRRSSSKTYGNGYSSNSNGRTDYTGEPNTCQLGQEREQELLCEDPPGMEGFVNCQGTVPSLSVDSQGRNCSTNDSPL
UniProt	P18762
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	CHEMBL3707
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Abt-418
Molecular formula	C9H14N2O
IUPAC name	3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole
Molecular weight	166.224
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	1.2
Synonyms	ILLGYRJAYAAAEW-QMMMGPOBSA-N SCHEMBL194161 147402-53-7 BDBM50035398 Isoxazole, 3-methyl-5-[(2S)-1-methyl-2-pyrrolidinyl]- 3-methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole D09ADT NCGC00165725-01 (S)-3-Methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole AC1L3OPH Isoxazole, 3-methyl-5-((2S)-1-methyl-2-pyrrolidinyl)- UNII-B9I6MZL7BW component ILLGYRJAYAAAEW-QMMMGPOBSA-N 3-Methyl-5-((S)-1-methyl-pyrrolidin-2-yl)-isoxazole C9H14N2O KB-74388 (S)-1-Methyl-2-(3-methyl-isoxazol-5-yl)-pyrrolidinium 3-Methyl-5-(1methyl-2(S)-pyrrolidinyl)isoxazole DTXSID10163711 NCGC00165725-02 (S)-3-methyl-5-(1-methylpyrrolidin-2-yl)isoxazole Abt 418 AKOS006273438 Isoxazole, 3-methyl-5-(1-methyl-2-pyrrolidinyl)-, (S)- ZINC3786099 3-Methyl-5-(1-methyl-2(S)-pyrrolidinyl)isoxazole CHEMBL274525 LS-173303 (s)-3-methyl-5-(1-methyl-2-pyrrolidinyl) isoxazole 3-methyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole [ Show all ]
Inchi Key	ILLGYRJAYAAAEW-QMMMGPOBSA-N
Inchi ID	InChI=1S/C9H14N2O/c1-7-6-9(12-10-7)8-4-3-5-11(8)2/h6,8H,3-5H2,1-2H3/t8-/m0/s1
PubChem CID	119380
ChEMBL	N/A
IUPHAR	N/A
BindingDB	50035398
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID7518514	BindingDB

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