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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	CHEMBL112351
Molecular formula	C10H9F3N2O2
IUPAC name	7-nitro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
Molecular weight	246.189
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.3
Synonyms	7-Nitro-3-trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline BDBM50079900 Isoquinoline, 1,2,3,4-tetrahydro-7-nitro-3-(trifluoromethyl)- 223916-01-6 7-nitro-3-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline 3-trifluoromethyl-7-nitro-1,2,3,4-tetrahydroisoquinoline [ Show all ]
Inchi Key	AZEWYBRFBDWZGW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H9F3N2O2/c11-10(12,13)9-4-6-1-2-8(15(16)17)3-7(6)5-14-9/h1-3,9,14H,4-5H2
PubChem CID	10332138
ChEMBL	CHEMBL112351
IUPHAR	N/A
BindingDB	50079900
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	3400.0 nM	PMID15686930	BindingDB,ChEMBL

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