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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	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	CHEMBL178376
Molecular formula	C20H19N3
IUPAC name	11-(1-methylpiperidin-4-ylidene)pyrrolo[2,1-b][3]benzazepine-9-carbonitrile
Molecular weight	301.393
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	2.5
Synonyms	HVUHGANPHHJBTO-UHFFFAOYSA-N 11-(1-Methyl-piperidin-4-ylidene)-11H-benzo[d]pyrrolo[1,2-a]azepine-9-carbonitrile 1-methyl-4-(9-cyano-11H-pyrrolo[2,1-b][3]benzazepin-11-ylidene)piperidine SCHEMBL11208310 1-methyl-4-[9-cyano-11H-pyrrolo[2,1-b] [3]benzazepin-11-ylidene]piperidine BDBM50026971 [ Show all ]
Inchi Key	HVUHGANPHHJBTO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H19N3/c1-22-10-6-17(7-11-22)20-18-13-15(14-21)4-5-16(18)8-12-23-9-2-3-19(20)23/h2-5,8-9,12-13H,6-7,10-11H2,1H3
PubChem CID	12909387
ChEMBL	CHEMBL178376
IUPHAR	N/A
BindingDB	50026971
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	1030.0 nM	PMID6134835	BindingDB,ChEMBL

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