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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	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	CUMI-101
Molecular formula	C19H27N5O3
IUPAC name	2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-methyl-1,2,4-triazine-3,5-dione
Molecular weight	373.457
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	1.8
Synonyms	CHEMBL2413154 179756-61-7 N4Y2V13I7F BDBM86757 UNII-N4Y2V13I7F 2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-methyl-1,2,4-triazine-3,5(2h,4h)dione NSC_11603174 [11C]MMP DTXSID80170856 SCHEMBL8558678 [ Show all ]
Inchi Key	MEKSQRMXWZHFIP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H27N5O3/c1-21-18(25)15-20-24(19(21)26)10-6-5-9-22-11-13-23(14-12-22)16-7-3-4-8-17(16)27-2/h3-4,7-8,15H,5-6,9-14H2,1-2H3
PubChem CID	21830793
ChEMBL	CHEMBL2413154
IUPHAR	N/A
BindingDB	86757
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	96.0 nM	PMID17221184	PDSP,BindingDB

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