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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	Rec 15/3079
Molecular formula	C26H34N4O4
IUPAC name	N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)cyclohexanecarboxamide
Molecular weight	466.582
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	4.8
Synonyms	5 HT1A antagonist, Recordati LS-56584 REC-15/3079 BDBM85833 N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)cyclohexanecarboxamide 1-[N-(2-nitrophenyl)-N-cyclohexylcarbonyl-2-aminoethyl]-4-(2-methoxyphenyl) piperazine HVMKWKIPLGPYAR-UHFFFAOYSA-N N-(2-(4-(2-methoxyphenyl)-1-piperazinyl) ethyl)-N-(2-nitrophenyl)cyclohexanecarboxamide REC-3079 D04HXS PDSP1_000972 220382-87-6 L001620 Rec-15-3079 N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]- ethyl]-N-(2-nitrophenyl)cyclohexanecarboxamide SCHEMBL989581 GTPL74 PDSP2_000956 [ Show all ]
Inchi Key	HVMKWKIPLGPYAR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H34N4O4/c1-34-25-14-8-7-13-24(25)28-18-15-27(16-19-28)17-20-29(26(31)21-9-3-2-4-10-21)22-11-5-6-12-23(22)30(32)33/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
PubChem CID	9847377
ChEMBL	N/A
IUPHAR	74
BindingDB	85833
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	104.71 nM	PMID15951403	BindingDB
Ki	105.0 nM	PMID11714892	BindingDB

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