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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	Bos taurus (Bovine)
Gene	ADRB2
Synonym	Beta-2 adrenoceptor Beta-2 adrenoreceptor
Disease	N/A for non-human GPCRs
Length	418
Amino acid sequence	MGQPGNRSVFLLAPNASHAPDQNVTLERDEAWVVGMGILMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGACHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYLAITSPFKYQCLLTKNKARVVILMVWIVSGLTSFLPIQMHWYRASHKEAINCYAKETCCDFFTNQPYAIASSIVSFYLPLVVMVFVYSRVFQVAKRQLQKIDKSEGRFHAQNVSQVEQDGRSGLGQRRTSKFYLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIKDNLIRKEIYILLNWLGYINSAFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGCSSNSNDRTDYTGEQSGYHLGEEKDSELLCEDPPGTENFVNQQGTVPSDSIDSQGRNCSTNDSLL
UniProt	Q28044
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	CHEMBL3373
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL368457
Molecular formula	C20H24N2O2
IUPAC name	1-(tert-butylamino)-3-(fluoren-9-ylideneamino)oxypropan-2-ol
Molecular weight	324.424
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.6
Synonyms	AKOS001091104 NCGC00246110-01 SR-01000061055-1 9H-Fluoren-9-one O-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropyl]oxime LS-187328 SMR000343677 BDBM50026853 1-(tert-butylamino)-3-(fluoren-9-ylideneamino)oxypropan-2-ol Fluoren-9-one O-(3-tert-butylamino-2-hydroxy-propyl)-oxime AC1L3TIJ MLS000770178 SR-01000061055 HMS2678K19 [ Show all ]
Inchi Key	DSKDPDQUXBBVRD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H24N2O2/c1-20(2,3)21-12-14(23)13-24-22-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,21,23H,12-13H2,1-3H3
PubChem CID	121848
ChEMBL	CHEMBL368457
IUPHAR	N/A
BindingDB	50026853
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	24.6 nM	PMID6126588	BindingDB,ChEMBL
Ratio	0.65 -	PMID6126588	ChEMBL

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