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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	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	CHEMBL179648
Molecular formula	C21H26N2O
IUPAC name	1-benzyl-4-(3,4-dihydro-2H-chromen-2-ylmethyl)piperazine
Molecular weight	322.452
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.7
Synonyms	AJZBPCAHQHCXMX-UHFFFAOYSA-N 1-[(chroman-2-yl)methyl]-4-benzylpiperazine BDBM50159018 1-benzyl-4-((3,4-dihydro-2H-chromen-2-yl)methyl)piperazine D03LDH 1-Benzyl-4-chroman-2-ylmethyl-piperazine SCHEMBL8031431 [ Show all ]
Inchi Key	AJZBPCAHQHCXMX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H26N2O/c1-2-6-18(7-3-1)16-22-12-14-23(15-13-22)17-20-11-10-19-8-4-5-9-21(19)24-20/h1-9,20H,10-17H2
PubChem CID	10758200
ChEMBL	CHEMBL179648
IUPHAR	N/A
BindingDB	50159018
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	146.0 nM	PMID18799310	BindingDB
Ki	146.1 nM	PMID18799310	ChEMBL
Ki	167.0 nM	PMID18799310	BindingDB,ChEMBL

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