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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	benalfocin
Molecular formula	C11H14ClN
IUPAC name	6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
Molecular weight	195.69
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	2.9
Synonyms	BDBM66983 CTK8D9445 MB01559 RSRUDTPYRBLHEO-UHFFFAOYSA-N UNII-YCN2U5UGIQ 6-chloro-3-methyl-2,3,4,5-tetrahydro-1h-3-benzazepine 73943-10-9 CCG-205133 KB-293371 NCGC00015930-02 SK&F-86466 1H-3-Benzazepine, 6-chloro-2,3,4,5-tetrahydro-3-methyl- AC1Q3P63 CHEMBL123349 LS-186796 PDSP1_000725 SKF-86466 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine 6-chloro-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine D06UBB MLS002172470 SCHEMBL8083358 YCN2U5UGIQ 7713-86-2 CHEBI:8986 Lopac-S-1563 NCGC00015930-03 SK-86466 6-chloranyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride AKOS030558322 cid_10220250 LS-187466 PDSP2_000715 SMR001254100 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride C10970 DTXSID70224650 NCGC00015930-01 SK&F 86466 ZINC900633 AC1L3XO4 Lopac0_001056 NCGC00162330-01 Skf 86466 6-Chloro-2,3,4,5-tetrahydro-3-methyl-1H-3-benzazepine [ Show all ]
Inchi Key	RSRUDTPYRBLHEO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H14ClN/c1-13-7-5-9-3-2-4-11(12)10(9)6-8-13/h2-4H,5-8H2,1H3
PubChem CID	123981
ChEMBL	CHEMBL123349
IUPHAR	N/A
BindingDB	66983
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	2.4 nM	PMID1656026	BindingDB
Ki	9.4 nM	PMID7562902	BindingDB,ChEMBL

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