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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	CHEMBL27021
Molecular formula	C19H24N2O
IUPAC name	1-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine
Molecular weight	296.414
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.8
Synonyms	144146-62-3 CTK0B3508 SMR000496368 ACMC-20n3n3 MLS001001194 ZINC5586934 1-(2-methoxyphenyl)-4-(2-phenylethyl)piperazine Piperazine, 1-(2-methoxyphenyl)-4-(2-phenylethyl)- DTXSID80396958 SR-01000208947 AMBPIKSQPHQYTQ-UHFFFAOYSA-N MolPort-002-149-742 1-(2-methoxyphenyl)-4-phenethylpiperazine SCHEMBL5442134 AC1MY5GA HMS2828N12 SR-01000208947-1 1-(2-methoxyphenyl)-4-(2-phenyl-1-ethyl)piperazine BDBM50201787 Oprea1_554439 [ Show all ]
Inchi Key	AMBPIKSQPHQYTQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H24N2O/c1-22-19-10-6-5-9-18(19)21-15-13-20(14-16-21)12-11-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
PubChem CID	3826471
ChEMBL	CHEMBL27021
IUPHAR	N/A
BindingDB	50201787
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	91.0 nM	PMID27448917	BindingDB
Ki	91.2 nM	PMID27448917	ChEMBL

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