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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-1A adrenergic receptor
Species	Oryctolagus cuniculus (Rabbit)
Gene	ADRA1A
Synonym	Alpha-1A adrenoceptor Alpha-1A adrenoreceptor Alpha-1C adrenergic receptor
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVFLSGNASDSSNCTHPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIISLCVISIDRYIGVSYPLRYPTIVTQRRGLRALLCVWAFSLVISVGPLFGWRQPAPDDETICQINEEPGYVLFSALGSFYVPLTIILAMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAPAGGSGVASAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPPETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLKIQCLRRKQSSKHALGYTLHAPSQALEGQHKDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPRGSARITVPKDQSACTTARVRSKSFLQVCCCVGPSTPNPGENHQVPTIKIHTISLSENGEEV
UniProt	O02824
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	CHEMBL3637
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	ABT-866
Molecular formula	C12H15N3O2S
IUPAC name	N-[3-(1H-imidazol-5-ylmethyl)phenyl]ethanesulfonamide
Molecular weight	265.331
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	1.4
Synonyms	Ethanesulfonic acid [3-(1H-imidazol-4-ylmethyl)-phenyl]-amide ABT 866 N-[3-(1H-imidazol-4-ylmethyl)-phenyl]ethanesulfonamide 258526-74-8 Ethanesulfonamide, N-(3-(1H-imidazol-5-ylmethyl)phenyl)- UNII-P7JGJ12E1W A 286666 N-(3-((1H-imidazol-4-yl)methyl)phenyl)ethanesulfonamide CHEMBL326702 P7JGJ12E1W 371790-02-2 Ethanesulfonamide, N-[3-(1H-imidazol-5-ylmethyl)phenyl]- A-286666 BDBM50118705 N-(3-(1H-imidazol-4-ylmethyl)phenyl)ethanesulfonamide Ethanesulfonamide, N-(3-(1H-imidazol-4-ylmethyl)phenyl)- SCHEMBL5612868 [ Show all ]
Inchi Key	ROUIPNDCVDWYEH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)
PubChem CID	9838192
ChEMBL	CHEMBL326702
IUPHAR	N/A
BindingDB	50118705
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	80.0 %	PMID18378462	ChEMBL
EC50	60.0 nM	PMID18378462	BindingDB,ChEMBL
EC50	602.56 nM	Med Chem Res, (2004) 13:3:134	ChEMBL
Efficacy	80.0 %	PMID15163201, Med Chem Res, (2004) 13:3:134	ChEMBL
pD2	6.22 -	PMID15163201, PMID18378462	ChEMBL

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