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GLASS

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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	Thioperamide
Molecular formula	C15H24N4S
IUPAC name	N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide
Molecular weight	292.445
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	2.4
Synonyms	NCGC00015988-04 AKOS024458593 CHEBI:81391 KS-000001KM N-Cyclohexy-4-(imidazol-4-yl)-1-piperidinecarbothioamide N-cyclohexyl-4-(3H-imidazol-4-yl)piperidine-1-carbothioamide NCGC00024704-01 UNII-II4319BWUI 1-Piperidinecarbothioamide, N-cyclohexyl-4-(1H-imidazol-4-yl)- B6390 D05FYA Lopac0_001214 NCGC00015988-02 QKDDJDBFONZGBW-UHFFFAOYSA-N C17933 GTPL1267 MolPort-023-275-907 NCGC00015988-05 Thioperamide maleate AKOS030228083 L000596 N-Cyclohexyl-4-(1H-imidazol-5-yl)-1-piperidinecarbothioamide N-Cyclohexyl-4-(imidazol-4-yl)-1-piperidinecarbothioamide NCGC00024704-02 ZINC13108134 106243-16-7 BDBM22914 DTXSID50147555 LS-114470 NCGC00015988-03 SCHEMBL2235762 AC1MI071 CCG-205288 II4319BWUI MR 12842 NCGC00015988-11 Tocris-0644 API0007635 CHEMBL260374 Lopac-T-123 N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide NCGC00015988-01 NCGC00024704-03 BRD-K63874012-103-01-5 FJZ MolPort-015-163-994 [ Show all ]
Inchi Key	QKDDJDBFONZGBW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
PubChem CID	3035905
ChEMBL	CHEMBL260374
IUPHAR	1267
BindingDB	22914
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	125.89 nM	PMID12606603, PMID18683917	BindingDB,ChEMBL
Ki	125.893 nM	PMID12606603	PDSP

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