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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL55629
Molecular formula	C22H27F3N4O3
IUPAC name	5-methyl-3-[[1-[[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]methyl]cyclopropyl]methyl]-1H-pyrimidine-2,4-dione
Molecular weight	452.478
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	2.9
Synonyms	BDBM50220786
Inchi Key	ALXPTLNJYZORDB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H27F3N4O3/c1-16-12-26-20(31)29(19(16)30)14-21(6-7-21)13-27-8-10-28(11-9-27)17-4-2-3-5-18(17)32-15-22(23,24)25/h2-5,12H,6-11,13-15H2,1H3,(H,26,31)
PubChem CID	44298746
ChEMBL	CHEMBL55629
IUPHAR	N/A
BindingDB	50220786
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	63.0 nM	PMID12749888	BindingDB
Ki	63.1 nM	PMID12749888	ChEMBL

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