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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Alpha-1A adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1a
Synonym	alpha1c alpha1A-adrenoceptor alpha1a Alpha-1C adrenergic receptor Alpha-1A adrenoreceptor Alpha-1A adrenoceptor alpha-1A adrenergic receptor ADRA1C alpha 1C-adrenergic receptor alpha 1A-adrenoreceptor alpha 1A-adrenoceptor adrenergic receptor, alpha 1a adrenergic receptor alpha 1c adrenergic alpha 1c receptor ADRA1L1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
UniProt	P43140
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	CHEMBL319
IUPHAR	22
DrugBank	N/A

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	Prestwick2_000559 ZINC3917109 192384-87-5 BCP06934 BRD-K17378184-300-03-4 EU-0100165 N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-2-naphthamide NCGC00015171-04 NCGC00093649-02 SPBio_002558 314776-92-6 BP-897 CHEBI:92310 L000139 N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide Prestwick0_000559 Tox21_500165 AC1MI4Y9 BP897, >98% (HPLC), solid D0EE6L LP00165 NCGC00015171-02 Prestwick3_000559 2-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)- BDBM50119380 BSPBio_000637 GTPL7625 N-[4-(4-(2-Methoxyphenyl)piperazinyl)butyl]-2-naphthamide NCGC00015171-05 NCGC00260850-01 SR-01000075725 BP-897 free base Lopac-B-9308 Naphthalene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide Prestwick1_000559 UNII-2FVL90IM8I B 9308 BPBio1_000701 DO-687 MFCD04039996 NCGC00015171-03 SCHEMBL2125882 2FVL90IM8I CCG-204260 HMS3260B11 N-[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]-2-naphthalenecarboxamide NCGC00093649-01 Prestwick-07H10 SR-01000075725-1 BP897 CHEMBL25236 Lopac0_000165 NCGC00015171-01 [ 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	60.0 nM	PMID12930145	BindingDB,ChEMBL

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