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GPCR

Name	Alpha-1A adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA1A
Synonym	alpha1a ADRA1C ADRA1L1 adrenergic alpha 1c receptor adrenergic receptor alpha 1c adrenergic receptor, alpha 1a alpha 1A-adrenoceptor alpha 1A-adrenoreceptor alpha1c alpha 1C-adrenergic receptor alpha-1A adrenergic receptor Alpha-1A adrenoceptor Alpha-1A adrenoreceptor Alpha-1C adrenergic receptor Alpha-adrenergic receptor 1c alpha1A-adrenoceptor [ Show all ]
Disease	Urinary incontinence Benign prostatic hyperplasia Cognitive disorders Female sexual dysfunction Glaucoma Hypertension Major depressive disorder Pain Post-traumatic stress disorder Prostate cancer; Benign prostatic hyperplasia Prostate disease Prostate hyperplasia Stress urinary incontinence Unspecified [ Show all ]
Length	466
Amino acid sequence	MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAPAGGSGMASAKTKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLCRKQSSKHALGYTLHPPSQAVEGQHKDMVRIPVGSRETFYRISKTDGVCEWKFFSSMPRGSARITVSKDQSSCTTARVRSKSFLQVCCCVGPSTPSLDKNHQVPTIKVHTISLSENGEEV
UniProt	P35348
Protein Data Bank	N/A
GPCR-HGmod model	P35348
3D structure model	This predicted structure model is from GPCR-EXP P35348.
BioLiP	N/A
Therapeutic Target Database	T92609
ChEMBL	CHEMBL229
IUPHAR	22
DrugBank	BE0000501

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	Tocris-1006 8-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-8-azaspiro[4.5]decane-7,9-dione AKOS030559908 CCG-204301 Lopac-B-134 NCGC00015126-05 NCGC00024935-01 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 SB19517 8-(2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl)-8-azaspiro[4.5]decane-7,9-dione AC1Q6FAD BMY7378 GTPL9 NCGC00015126-03 NCGC00015126-06 UNII-08EI0K81OL 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 NCGC00024935-02 8-(2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)-8-azaspiro(4.5)decane-7,9-dione BDBM50026917 CTK4E5879 NCGC00015126-01 SCHEMBL6017145 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 NCGC00015126-08 ZINC53064442 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 NCGC00024935-03 8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-azaspiro[4.5]decane-7,9-dione AC1L1DMT D00KZF NCGC00015126-02 [ 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
Kd	380.19 nM	PMID11931617	BindingDB,ChEMBL
Ki	42.66 nM	PMID21514979	BindingDB
Ki	100.0 - 125.893 nM	PMID11459121, PMID11354357	IUPHAR
Ki	130.0 nM	PMID11354357	BindingDB,ChEMBL
Ki	250.0 nM	PMID15664832	BindingDB,ChEMBL
Ki	251.0 nM	PMID12825930	BindingDB,ChEMBL
Ki	290.0 nM	PMID15828846	BindingDB,ChEMBL
Ki	294.0 nM	PMID9548811	BindingDB,ChEMBL
Ki	380.0 nM	PMID23252794	BindingDB
Ki	380.19 nM	PMID18817363, PMID10514291, PMID22145629, PMID20185311, PMID20605276, PMID23252794	BindingDB,ChEMBL
Ki	389.0 nM	PMID27689727	BindingDB
Ki	389.05 nM	PMID27689727	ChEMBL
Ki	436.52 nM	PMID9822553	ChEMBL
Ratio	618.37 -	PMID15055991	ChEMBL

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