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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	1-Methyllysergic acid butanolamide
Molecular formula	C21H27N3O2
IUPAC name	N-(1-hydroxybutan-2-yl)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
Molecular weight	353.466
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.3
Synonyms	CHEBI:91995 Ergoline-8-carboxamide, 9,10-didehydro-N-[1-(hydroxymethyl)propyl]-1,6-dimethyl-, [8.beta.(S)]- L001319 AC1L1HJY (+)-9,10-Didehydro-N-[1-(hydroxymethyl)propyl]-1,6-dimethylergoline-8.beta.-carboxamide Ergoline-8-carboxamide, 9,10-didehydro-N-[(S)-1-(hydroxymethyl)propyl]-1,6-dimethyl-, (8.beta.)- 1-Methyl-D-lysergic acid butanolamide Ergoline-8.beta.-carboxamide, 9,10-didehydro-N-[1-(hydroxymethyl)propyl]-1,6-dimethyl- N-[1-(Hydroxymethyl)propyl]-1,6-dimethyl-9,10-didehydroergoline-8.beta.-carboxamide # BRD-A98725278-103-01-9 (+)-N-[1-(Hydroxymethyl)propyl]-1-methyllysergamide, (D) Ergoline-8-carboxamide, 9,10-didehydro-N-[1-(hydroxymethyl)propyl]-1,6-dimethyl-, (8.beta.)- KPJZHOPZRAFDTN-UHFFFAOYSA-N [ Show all ]
Inchi Key	KPJZHOPZRAFDTN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H27N3O2/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26)
PubChem CID	4163
ChEMBL	N/A
IUPHAR	N/A
BindingDB	N/A
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	170.0 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP

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