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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	CHEMBL305928
Molecular formula	C10H18N2O
IUPAC name	N-cycloheptyl-4,5-dihydro-1,3-oxazol-2-amine
Molecular weight	182.267
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.0
Synonyms	BDBM50212993 ZINC1623683 CTK5J7123 NSC-162259 N-(2-Oxazolin-2-yl)cycloheptanamine AC1L6LIS NSC162259 N-cycloheptyl-4,5-dihydro-1,3-oxazol-2-amine [ Show all ]
Inchi Key	DAIRUBYTBODIKT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H18N2O/c1-2-4-6-9(5-3-1)12-10-11-7-8-13-10/h9H,1-8H2,(H,11,12)
PubChem CID	294234
ChEMBL	CHEMBL305928
IUPHAR	N/A
BindingDB	50212993
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	38.0 nM	N/A	BindingDB
EC50	38.02 nM	Bioorg. Med. Chem. Lett., (1994) 4:19:2317	ChEMBL
Ki	5.37 nM	Bioorg. Med. Chem. Lett., (1994) 4:19:2317	ChEMBL
Ki	5.4 nM	N/A	BindingDB

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