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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	BP 897
Molecular formula	C26H31N3O2
IUPAC name	N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
Molecular weight	417.553
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.8
Synonyms	314776-92-6 BP-897 CHEBI:92310 L000139 N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide NCGC00093649-02 SPBio_002558 AC1MI4Y9 BP897, >98% (HPLC), solid D0EE6L LP00165 NCGC00015171-02 Prestwick0_000559 Tox21_500165 BDBM50119380 BSPBio_000637 GTPL7625 N-[4-(4-(2-Methoxyphenyl)piperazinyl)butyl]-2-naphthamide NCGC00015171-05 Prestwick3_000559 2-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)- BP-897 free base Lopac-B-9308 Naphthalene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide NCGC00260850-01 SR-01000075725 B 9308 BPBio1_000701 DO-687 MFCD04039996 NCGC00015171-03 Prestwick1_000559 UNII-2FVL90IM8I 2FVL90IM8I CCG-204260 HMS3260B11 N-[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]-2-naphthalenecarboxamide NCGC00093649-01 SCHEMBL2125882 BP897 CHEMBL25236 Lopac0_000165 NCGC00015171-01 Prestwick-07H10 SR-01000075725-1 BCP06934 BRD-K17378184-300-03-4 EU-0100165 N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-2-naphthamide NCGC00015171-04 Prestwick2_000559 ZINC3917109 192384-87-5 [ Show all ]
Inchi Key	MNHDKMDLOJSCGN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)
PubChem CID	3038495
ChEMBL	CHEMBL25236
IUPHAR	7625
BindingDB	50119380
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	2.75 nM	PMID20656482	BindingDB,ChEMBL

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