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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	L-Homocysteic acid
Molecular formula	C4H9NO5S
IUPAC name	(2S)-2-amino-4-sulfobutanoic acid
Molecular weight	183.178
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	-3.6
Synonyms	CHEMBL230951 L-HOMOCYSTEATE YW13F86W9W AJ-41531 FT-0637148 PDSP1_001269 (S)-2-amino-4-sulfobutanoic acid C16511 CHEBI:80543 L-2-Amino-4-sulfobutyrate UNII-HYA2G5T79L component VBOQYPQEPHKASR-VKHMYHEASA-N DB-042945 ZINC2567965 (2S)-2-Amino-4-sulfobutanoic acid BDBM50220147 H-2740 PDSP2_001253 (S)-2-amino-4-sulfobutyric acid CC-29946 L-2-Amino-4-sulfobutyric acid UNII-YW13F86W9W AC1L42RY FCH838969 MFCD00066018 (2S)-2-amino-4-sulfobutyric acid C-24823 CHEBI:132223 KB-53220 SCHEMBL157695 14857-77-3 [ Show all ]
Inchi Key	VBOQYPQEPHKASR-VKHMYHEASA-N
Inchi ID	InChI=1S/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)/t3-/m0/s1
PubChem CID	177491
ChEMBL	CHEMBL230951
IUPHAR	N/A
BindingDB	50220147
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	<10000.0 nM	PMID12649361	BindingDB

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