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GPCR

Name	Alpha-1B adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA1B
Synonym	alpha1B-adrenoceptor alpha1B-adrenergic receptor Alpha-1B adrenoreceptor Alpha-1B adrenoceptor alpha 1B-adrenoreceptor alpha 1B-adrenoceptor adrenergic receptor adrenergic alpha 1B receptor [ Show all ]
Disease	Psychiatric disorder Hypertension Exogenous obesity Attention deficit hyperactivity disorder
Length	520
Amino acid sequence	MNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFVRILGCQCRGRGRRRRRRRRRLGGCAYTYRPWTRGGSLERSQSRKDSLDDSGSCLSGSQRTLPSASPSPGYLGRGAPPPVELCAFPEWKAPGALLSLPAPEPPGRRGRHDSGPLFTFKLLTEPESPGTDGGASNGGCEAAADVANGQPGFKSNMPLAPGQF
UniProt	P35368
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	T29500
ChEMBL	CHEMBL232
IUPHAR	23
DrugBank	BE0000575

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
Activity	0.1 -	PMID15055991	ChEMBL
Ki	31.6228 - 100.0 nM	PMID11459121, PMID11354357	IUPHAR
Ki	50.12 nM	PMID21514979	BindingDB
Ki	64.57 nM	PMID9822553	ChEMBL
Ki	69.18 nM	PMID10514291	ChEMBL
Ki	94.0 nM	PMID11354357	BindingDB
Ki	94.3 nM	PMID11354357	ChEMBL
Ki	168.2 nM	PMID15055991	BindingDB,ChEMBL
Ki	191.0 nM	PMID15828846, PMID9548811	BindingDB,ChEMBL
Ki	524.81 nM	PMID12065700	BindingDB
Ki	631.0 nM	PMID12825930	BindingDB,ChEMBL
Ki	707.95 nM	PMID18817363, PMID22145629, PMID20185311, PMID20605276, PMID11931617, PMID23252794, PMID27689727	BindingDB,ChEMBL
Ki	708.0 nM	PMID23252794, PMID27689727	BindingDB
pKB	6.55 -	PMID15055991	ChEMBL
Ratio	210.25 -	PMID15055991	ChEMBL

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