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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	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	AC1NKXXY
Molecular formula	C17H19N3O
IUPAC name	3-[N-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)-4-methylanilino]phenolate
Molecular weight	281.359
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	3.3
Synonyms	STL054299 AKOS005707227 3-[(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)(4-methylphenyl)amino]phenolate MCULE-3004652227 3-[N-(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)-4-methylanilino]phenolate MolPort-000-771-097 [ Show all ]
Inchi Key	MRBDMNSDAVCSSF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)
PubChem CID	4920903
ChEMBL	CHEMBL597
IUPHAR	502
BindingDB	31046
DrugBank	DB00692
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	3.7 nM	PMID11408545	BindingDB
Ki	4.7 nM	PMID7658428	BindingDB,ChEMBL
Ki	4.9 nM	PMID7965790	BindingDB
Ki	6.3 nM	PMID10611634	BindingDB

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