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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	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	Glemanserin
Molecular formula	C20H25NO
IUPAC name	phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
Molecular weight	295.426
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	3.8
Synonyms	alpha-Phenyl-1-(2-phenylethyl)-4-piperidinemethanol Glemanserin (USAN/INN) MDL 11,939phenyl[1-(2-phenylethyl)piperidin-4-yl]methanol phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol ( inverted exclamation markA)-1-phenethyl-a-phenyl-4-piperidinemethanol AN-24938 D04320 HMS3266L14 MDL-11939 SR-01000597432 (1-phenethylpiperidin-4-yl)(phenyl)methanol 4-Piperidinemethanol,a-phenyl-1-(2-phenylethyl)- AC1Q771C BRD-A62057054-001-01-5 FT-0703731 LS-172057 PDSP2_001558 107703-78-6 alpha-phenyl-[1-(2-phenylethyl )]-4-piperidinemethanol CHEMBL18972 Glemanserin [USAN:INN] Mdl 11939 RT-013670 (+-)-1-Phenethyl-alpha-phenyl-4-piperidinemethanol 4-Piperidinemethanol, alpha-phenyl-1-(2-phenylethyl)- AXNGJCOYCMDPQG-UHFFFAOYSA-N D05MFO J-002002 MolPort-003-983-619 SR-01000597432-1 (1-phenethylpiperidin-4-yl)-phenylmethanol AKOS024458672 CHEBI:91790 MDL 11,939 phenyl-[1-(2-phenylethyl)-4-piperidyl]methanol 132553-86-7 alpha-phenyl-[1-(2-phenylethyl)]-4-piperidinemethanol CTK8D3348 GTPL186 Mdl-11,939 SCHEMBL120012 (1-Phenethyl-piperidin-4-yl)-phenyl-methanol 4-Piperidinemethanol, alpha-phenyl-1-(2-phenylethyl)-, (+-)- BDBM50004327 DTXSID4042624 L002081 PDSP1_001574 AC1L2GSP [ Show all ]
Inchi Key	AXNGJCOYCMDPQG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
PubChem CID	71781
ChEMBL	CHEMBL18972
IUPHAR	186
BindingDB	50004327
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	1586.0 nM	PMID15999145	PDSP,BindingDB

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