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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	Cavia porcellus (Guinea pig)
Gene	ADRA1A
Synonym	Alpha-1A adrenoceptor Alpha-1A adrenoreceptor Alpha-1C adrenergic receptor
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVFLSGNASDSSNCTQPPAPVNIPKAILLGVILGVLILFGVPGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMSLCIISIDRYIGVSYPLRYPTIVTQRRGLRALLCLWALSLVISIGPLFGWRQPAPQDETICQINEDPSYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLTSGLKTDKSDSEQVTLRIHRKNAPLGGSGVASSKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLKIQCLRRKQSSKHALGYTLHPPSQAVEGQHKDMVRIPVGSRETFYKISKTDGVCEWKFFSSMPRGSARITVPKDQSACTTARVRSKSFLQVCCCVGPSTPNPGENHQVPTIKIHTISLSENGEEV
UniProt	Q9WU25
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	CHEMBL2150843
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Bmy-7378
Molecular formula	C22H31N3O3
IUPAC name	8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular weight	385.508
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.8
Synonyms	8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-azaspiro[4.5]decane-7,9-dione AC1L1DMT D00KZF NCGC00015126-02 NCGC00024935-03 8-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-8-azaspiro[4.5]decane-7,9-dione AKOS030559908 CCG-204301 Lopac-B-134 NCGC00015126-05 Tocris-1006 8-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione(BMY-7378) BCPP000322 CHEMBL13647 LS-187518 NCGC00024935-01 8-(2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl)-8-azaspiro[4.5]decane-7,9-dione AC1Q6FAD BMY7378 GTPL9 NCGC00015126-03 SB19517 08EI0K81OL 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione AYYCFGDXLUPJAQ-UHFFFAOYSA-N CHEBI:92539 Lopac0_000206 NCGC00015126-06 UNII-08EI0K81OL 8-(2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)-8-azaspiro(4.5)decane-7,9-dione BDBM50026917 CTK4E5879 NCGC00015126-01 NCGC00024935-02 8-Azaspiro(4.5)decane-7,9-dione, 8-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)- AJ-112154 BRD-K31054881-300-01-3 L000137 NCGC00015126-04 SCHEMBL6017145 21102-94-3 8-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione BCP9000439 LS-186862 NCGC00015126-08 ZINC53064442 [ Show all ]
Inchi Key	AYYCFGDXLUPJAQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
PubChem CID	2419
ChEMBL	CHEMBL13647
IUPHAR	9
BindingDB	50026917
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	79.43 nM	PMID9653897	BindingDB
Ki	158.49 nM	PMID9653897	BindingDB
Ki	630.96 nM	PMID9653897	BindingDB

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