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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Alpha-2A adrenergic receptor
Species	Bos taurus (Bovine)
Gene	ADRA2A
Synonym	Alpha-2A adrenoceptor Alpha-2A adrenoreceptor Alpha-2AAR Alpha-2D adrenergic receptor
Disease	N/A for non-human GPCRs
Length	452
Amino acid sequence	MGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLFTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIVTVWVISAVISFPPLISFEKKRGRSGQPSAEPRCEINDQKWYVISSSIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDATAAELPGSAERRPNGLGPERGGVGPVGAEVESLQVQLNGAPGEPAPAGAGADALDLEESSSSEHAERPPGSRRSERGPRAKGKARASQVKPGDSLPRRGPGATGLGAPTAGPAEERSGGGAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAIGCPVPPTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProt	Q28838
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	CHEMBL4744
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL162955
Molecular formula	C15H21NO2
IUPAC name	(4aS,10bR)-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridin-9-ol
Molecular weight	247.338
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.9
Synonyms	(4abeta,10balpha)-1,3,4,4a,5,10b-Hexahydro-4-propyl-2H-[1]benzopyrano[3,4-b]pyridin-9-ol UNII-I06LXQ54TY component GSLWRDKYYIQKIM-TZMCWYRMSA-N BDBM50016888 GSLWRDKYYIQKIM-TZMCWYRMSA-N 1-Propyl-2,3,4,4a,10,10a-hexahydro-1H-9-oxa-1-aza-phenanthren-6-ol (+/-)-trans-1,3,4,4a,5,10b-hexahydro-4-propyl-2h-[1]benzopyrano[3,4-b]-pyridin-9-ol trans-9-hydroxy-4-propyl-1,2,3,4a,5,10b-hexahydro-4H-[1]-benzopyrano[3,4-b]pyridine [ Show all ]
Inchi Key	GSLWRDKYYIQKIM-TZMCWYRMSA-N
Inchi ID	InChI=1S/C15H21NO2/c1-2-7-16-8-3-4-12-13-9-11(17)5-6-15(13)18-10-14(12)16/h5-6,9,12,14,17H,2-4,7-8,10H2,1H3/t12-,14-/m1/s1
PubChem CID	10243700
ChEMBL	CHEMBL162955
IUPHAR	N/A
BindingDB	50016888
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	559.0 nM	PMID2537429	ChEMBL
IC50	559.0 nM	PMID2537429	BindingDB

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