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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	Rattus norvegicus (Rat)
Gene	Adra1b
Synonym	adrenergic receptor alpha 1B-adrenoceptor alpha 1B-adrenoreceptor adrenergic alpha 1B receptor Alpha-1B adrenoceptor Alpha-1B adrenoreceptor alpha1B-adrenergic receptor alpha1B-adrenoceptor [ Show all ]
Disease	N/A for non-human GPCRs
Length	515
Amino acid sequence	MNPDLDTGHNTSAPAHWGELKDDNFTGPNQTSSNSTLPQLDVTRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAIADLLLSFTVLPFSATLEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFMRILGCQCRGGRRRRRRRRLGACAYTYRPWTRGGSLERSQSRKDSLDDSGSCMSGTQRTLPSASPSPGYLGRGTQPPVELCAFPEWKPGALLSLPEPPGRRGRLDSGPLFTFKLLGDPESPGTEGDTSNGGCDTTTDLANGQPGFKSNMPLAPGHF
UniProt	P15823
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	CHEMBL315
IUPHAR	23
DrugBank	N/A

Ligand

Name	A61603
Molecular formula	C14H19N3O3S
IUPAC name	N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide
Molecular weight	309.384
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	0.4
Synonyms	n-[5-(4,5-dihydro-1h-imidazol-2yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulphonamide SCHEMBL8856920 GTPL480 BRD-A83650191-004-01-0 N-[5-(4,5-Dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydro-naphthalen-1-yl]-methanesulfonamide A 61603 CHEMBL109783 N-[[5-[(4,5-Dihydro-1H-imidazol)-2-yl]-2-hydroxy-5,6,7,8-tetrahydronaphthalen]-1-yl]methanesulfonamide AC1N1YI9 L000090 CHEBI:103854 N-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]methanesulfonamide A-61603 D07OAF NCGC00024968-02 BDBM50118703 Methanesulfonamide,N-[5-(4,5-dihydro-1H-imidazol-2-yl)-5,6,7,8-tetrahydro-2-hydroxy-1-naphthalenyl]-,hydrobromide(1:1) [ Show all ]
Inchi Key	OQFCXJDXHCDLHX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H19N3O3S/c1-21(19,20)17-13-10-3-2-4-11(14-15-7-8-16-14)9(10)5-6-12(13)18/h5-6,11,17-18H,2-4,7-8H2,1H3,(H,15,16)
PubChem CID	4038180
ChEMBL	CHEMBL109783
IUPHAR	480
BindingDB	50118703
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	316.23 nM	PMID8831777	ChEMBL
EC50	320.0 nM	PMID12238918	BindingDB,ChEMBL
Efficacy	91.0 %	PMID15163201	ChEMBL
Emax	73.0 %	PMID8831777	ChEMBL
pD2	6.5 -	PMID15163201	ChEMBL

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