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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	Rattus norvegicus (Rat)
Gene	Adra1a
Synonym	alpha1c alpha1A-adrenoceptor alpha1a Alpha-1C adrenergic receptor Alpha-1A adrenoreceptor Alpha-1A adrenoceptor alpha-1A adrenergic receptor ADRA1C alpha 1C-adrenergic receptor alpha 1A-adrenoreceptor alpha 1A-adrenoceptor adrenergic receptor, alpha 1a adrenergic receptor alpha 1c adrenergic alpha 1c receptor ADRA1L1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
UniProt	P43140
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	CHEMBL319
IUPHAR	22
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	BDBM50118705 N-(3-(1H-imidazol-4-ylmethyl)phenyl)ethanesulfonamide Ethanesulfonamide, N-(3-(1H-imidazol-4-ylmethyl)phenyl)- SCHEMBL5612868 ABT 866 Ethanesulfonic acid [3-(1H-imidazol-4-ylmethyl)-phenyl]-amide 258526-74-8 N-[3-(1H-imidazol-4-ylmethyl)-phenyl]ethanesulfonamide A 286666 Ethanesulfonamide, N-(3-(1H-imidazol-5-ylmethyl)phenyl)- UNII-P7JGJ12E1W N-(3-((1H-imidazol-4-yl)methyl)phenyl)ethanesulfonamide 371790-02-2 CHEMBL326702 P7JGJ12E1W A-286666 Ethanesulfonamide, N-[3-(1H-imidazol-5-ylmethyl)phenyl]- [ 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	11.0 %	PMID18378462	ChEMBL
Kd	3981.07 nM	PMID18378462	ChEMBL
Ki	134.9 nM	PMID15163201, Med Chem Res, (2004) 13:3:134	ChEMBL
Ki	140.0 nM	PMID12238918	BindingDB,ChEMBL
pD2	6.16 -	PMID18378462	ChEMBL

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