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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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GPCR

Name	Alpha-1B adrenergic receptor
Species	Mesocricetus auratus (Golden hamster)
Gene	ADRA1B
Synonym	Alpha-1B adrenoceptor Alpha-1B adrenoreceptor
Disease	N/A for non-human GPCRs
Length	515
Amino acid sequence	MNPDLDTGHNTSAPAQWGELKDANFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMRILGCQCRSGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGSQRTLPSASPSPGYLGRGAQPPLELCAYPEWKSGALLSLPEPPGRRGRLDSGPLFTFKLLGEPESPGTEGDASNGGCDATTDLANGQPGFKSNMPLAPGHF
UniProt	P18841
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	CHEMBL3122
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL1259112
Molecular formula	C20H21N3S
IUPAC name	5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carbonitrile
Molecular weight	335.469
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.4
Synonyms	11-(4-methyl-1-piperazinyl)-10,11-dihydrodibenzo[b,f]thiepine-2-carbonitrile AKOS005065389 11-(4-methylpiperazin-1-yl)-10,11-dihydrodibenzo[b,f]thiepine-2-carbonitrile AC1L1RUX BDBM50328496 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carbonitrile Cyanothepin AC1Q4RWU [ Show all ]
Inchi Key	PSBWDCHOGUBLQH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H21N3S/c1-22-8-10-23(11-9-22)18-13-16-4-2-3-5-19(16)24-20-7-6-15(14-21)12-17(18)20/h2-7,12,18H,8-11,13H2,1H3
PubChem CID	34580
ChEMBL	CHEMBL1259112
IUPHAR	N/A
BindingDB	50328496
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	0.088 nM	PMID20857909	BindingDB,ChEMBL

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