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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	CHEMBL302882
Molecular formula	C21H19Br3N4O
IUPAC name	6,7-dibromo-3-[(2S,5R)-5-(6-bromo-1H-indol-3-yl)-4-methylpiperazin-2-yl]-1H-indol-4-ol
Molecular weight	583.122
Hydrogen bond acceptor	3
Hydrogen bond donor	4
XlogP	4.6
Synonyms	SCHEMBL6820934 6,7-Dibromo-3-[(2S,5R)-5-(6-bromo-1H-indol-3-yl)-4-methyl-piperazin-2-yl]-1H-indol-4-ol 114582-72-8 BDBM50287720 Dragmacidin
Inchi Key	AUJKXAIGSXKZBR-SJORKVTESA-N
Inchi ID	InChI=1S/C21H19Br3N4O/c1-28-9-16(13-7-27-21-19(13)18(29)5-14(23)20(21)24)26-8-17(28)12-6-25-15-4-10(22)2-3-11(12)15/h2-7,16-17,25-27,29H,8-9H2,1H3/t16-,17+/m1/s1
PubChem CID	9938248
ChEMBL	CHEMBL302882
IUPHAR	N/A
BindingDB	50287720
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
Ki	78.0 nM	Bioorg. Med. Chem. Lett., (1996) 6:17:2103,	BindingDB,ChEMBL
Ki	80.0 nM	, Bioorg. Med. Chem. Lett., (1996) 6:17:2103	BindingDB,ChEMBL

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