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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.
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GPCR

Name	Alpha-2A adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra2a
Synonym	CA2-47 alpha2D alpha2A-AR alpha2A-adrenoceptor alpha2A-adrenergic receptor alpha2A Alpha-2D adrenergic receptor Alpha-2AAR Alpha-2A adrenoreceptor Alpha-2A adrenoceptor adrenergic receptor Adrenergic alpha 2A receptor ADRA2R ADRA2 Adra-2a Adra-2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	450
Amino acid sequence	MGSLQPDAGNSSWNGTEAPGGGTRATPYSLQVTLTLVCLAGLLMLFTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKVWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIVTVWVISAVISFPPLISIEKKGAGGGQQPAEPSCKINDQKWYVISSSIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDACSAPPGGADRRPNGLGPERGAGTAGAEAEPLPTQLNGAPGEPAPTRPRDGDALDLEESSSSEHAERPQGPGKPERGPRAKGKTKASQVKPGDSLPRRGPGAAGPGASGSGQGEERAGGAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLIAVGCPVPYQLFNFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProt	P22909
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	CHEMBL327
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL95873
Molecular formula	C10H13FN2O2S
IUPAC name	3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
Molecular weight	244.284
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	0.3
Synonyms	BDBM13022 247050-30-2 7-Isoquinolinesulfonamide, 3-(fluoromethyl)-1,2,3,4-tetrahydro- 3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide 7-sulfonamide-THIQ 12 3-fluoromethyl-7-aminosulfonyl-1,2,3,4-tetrahydroisoquinoline [ Show all ]
Inchi Key	JRESBJUYAQJNMA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C10H13FN2O2S/c11-5-9-3-7-1-2-10(16(12,14)15)4-8(7)6-13-9/h1-2,4,9,13H,3,5-6H2,(H2,12,14,15)
PubChem CID	10399576
ChEMBL	CHEMBL95873
IUPHAR	N/A
BindingDB	13022
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	680000.0 nM	PMID15771426	BindingDB,ChEMBL

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