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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	CHEMBL431362
Molecular formula	C32H36N4O5
IUPAC name	N-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
Molecular weight	556.663
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	3.9
Synonyms	BDBM50088416 N-[(S)-2-Hydroxy-3-[4-(2-isopropoxyphenyl)piperazino]propyl]-2-(4-methylphenyl)-1,3-dioxoisoindoline-5-carboxamide 1,3-Dioxo-2-p-tolyl-2,3-dihydro-1H-isoindole-5-carboxylic acid {2-hydroxy-3-[4-(2-isopropoxy-phenyl)-piperazin-1-yl]-propyl}-amide
Inchi Key	IQRXOCGLSGCNLE-VWLOTQADSA-N
Inchi ID	InChI=1S/C32H36N4O5/c1-21(2)41-29-7-5-4-6-28(29)35-16-14-34(15-17-35)20-25(37)19-33-30(38)23-10-13-26-27(18-23)32(40)36(31(26)39)24-11-8-22(3)9-12-24/h4-13,18,21,25,37H,14-17,19-20H2,1-3H3,(H,33,38)/t25-/m0/s1
PubChem CID	10792897
ChEMBL	CHEMBL431362
IUPHAR	N/A
BindingDB	50088416
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<1650.0 nM	PMID10841797	BindingDB,ChEMBL

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