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GLASS

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GPCR

Name	Alpha-2A adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2A
Synonym	alpha2D alpha2A-AR alpha2A-adrenoceptor alpha2A-adrenergic receptor alpha2A Alpha-2AAR Adra-2 Adra-2a ADRA2 ADRA2R Adrenergic alpha 2A receptor adrenergic receptor Alpha-2 adrenergic receptor subtype C10 Alpha-2A adrenoceptor Alpha-2A adrenoreceptor [ Show all ]
Disease	Attention deficit hyperactivity disorder Sexual dysfunction Pain
Length	450
Amino acid sequence	MGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProt	P08913
Protein Data Bank	N/A
GPCR-HGmod model	P08913
3D structure model	This predicted structure model is from GPCR-EXP P08913.
BioLiP	N/A
Therapeutic Target Database	T11448
ChEMBL	CHEMBL1867
IUPHAR	25
DrugBank	BE0000289

Ligand

Name	CHEMBL3775473
Molecular formula	C23H19FN2O4S2
IUPAC name	6-[(3-fluoro-6H-benzo[c][1,5]benzoxazepin-11-yl)sulfonyl]-4,4-dimethyl-1H-3,1-benzoxazine-2-thione
Molecular weight	470.533
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.2
Synonyms	BDBM50154361 J3.558.004B 6-(8-Fluoro-5,11-dihydrodibenzo[b,e][1,4]oxazepine-5-ylsulfonyl)-4,4-dimethyl-4H-3,1-benzooxazine-2(1H)-thione
Inchi Key	AXXQTTPUMYEBOV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H19FN2O4S2/c1-23(2)17-12-16(8-9-18(17)25-22(31)30-23)32(27,28)26-19-6-4-3-5-14(19)13-29-21-11-15(24)7-10-20(21)26/h3-12H,13H2,1-2H3,(H,25,31)
PubChem CID	127029884
ChEMBL	CHEMBL3775473
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Inhibition	85.0 %	PMID26897089	ChEMBL

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