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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.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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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	GSK137647A
Molecular formula	C16H19NO3S
IUPAC name	4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
Molecular weight	305.392
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.5
Synonyms	AS-16737 CHEMBL3311308 GSK137647A, >=98% (HPLC) N-mesityl-4-methoxy-1-benzenesulfonamide SR-01000478738-1 4-methoxy-N-(2,4,6-trimethylphenyl)benzene-1-sulfonamide AC1LEYMC BDBM50044849 EX-A1097 KB-3356964 Oprea1_349531 ZINC184126 AKOS003261220 CBMicro_012617 GSK-137647A MFCD02007969 SMSF0014079 B7793 CS-5549 HY-19995 N-mesityl-4-methoxybenzenesulfonamide ST50719559 4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide AJ-292/14925630 BIM-0012523.P001 FT-0700296 KS-00000TIW Oprea1_545891 [(4-methoxyphenyl)sulfonyl](2,4,6-trimethylphenyl)amine AOB2991 MolPort-000-626-674 SR-01000478738 349085-82-1 BCP17136 EU-0076636 J-690285 NCGC00387253-02 STK899558 AK240703 CB15818 GSK 137647 MCULE-5583867808 SCHEMBL19357604 [ Show all ]
Inchi Key	FQUAFMNPXPXOJE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3
PubChem CID	743974
ChEMBL	CHEMBL3311308
IUPHAR	N/A
BindingDB	50044849
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<39810.7 nM	PMID24881566	ChEMBL
IC50	>39811.0 nM	PMID24881566	BindingDB

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