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Go to the GPCR, ligand, or experimental data tables.
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GPCR

Name	Alpha-1B adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1b
Synonym	adrenergic receptor alpha 1B-adrenoceptor alpha 1B-adrenoreceptor adrenergic alpha 1B receptor Alpha-1B adrenoceptor Alpha-1B adrenoreceptor alpha1B-adrenergic receptor alpha1B-adrenoceptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	515
Amino acid sequence	MNPDLDTGHNTSAPAHWGELKDDNFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMRILGCQCRGGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGTQRTLPSASPSPGYLGRGTQPPVELCAFPEWKPGALLSLPEPPGRRGRLDSGPLFTFKLLGDPESPGTEGDTSNGGCDTTTDLANGQPGFKSNMPLAPGHF
UniProt	P15823
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	CHEMBL315
IUPHAR	23
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	AKOS030559908 CCG-204301 Lopac-B-134 NCGC00015126-05 Tocris-1006 8-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-8-azaspiro[4.5]decane-7,9-dione BCPP000322 CHEMBL13647 LS-187518 NCGC00024935-01 8-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione(BMY-7378) AC1Q6FAD BMY7378 GTPL9 NCGC00015126-03 SB19517 8-(2-[4-(2-Methoxyphenyl)-1-piperazinyl]ethyl)-8-azaspiro[4.5]decane-7,9-dione AYYCFGDXLUPJAQ-UHFFFAOYSA-N CHEBI:92539 Lopac0_000206 NCGC00015126-06 UNII-08EI0K81OL 08EI0K81OL 8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione BDBM50026917 CTK4E5879 NCGC00015126-01 NCGC00024935-02 8-(2-(4-(2-Methoxyphenyl)-1-piperazinyl)ethyl)-8-azaspiro(4.5)decane-7,9-dione AJ-112154 BRD-K31054881-300-01-3 L000137 NCGC00015126-04 SCHEMBL6017145 8-Azaspiro(4.5)decane-7,9-dione, 8-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)- BCP9000439 LS-186862 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 AC1L1DMT D00KZF NCGC00015126-02 NCGC00024935-03 8-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)-8-azaspiro[4.5]decane-7,9-dione [ 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	28.18 nM	PMID9822553	BindingDB,ChEMBL
Kd	33.11 nM	PMID11931617	BindingDB,ChEMBL
Kd	42.66 nM	PMID11354357	ChEMBL
Ki	328.0 nM	PMID9548811	ChEMBL
Ki	328.0 nM	PMID9548811	BindingDB
pKb	7.48 -	PMID15686938, PMID18817363, PMID20605276, PMID22145629	ChEMBL
pKb	7.55 -	PMID10514291	ChEMBL

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