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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.
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GPCR

Name	Alpha-1A adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA1A
Synonym	alpha1a ADRA1C ADRA1L1 adrenergic alpha 1c receptor adrenergic receptor alpha 1c adrenergic receptor, alpha 1a alpha 1A-adrenoceptor alpha 1A-adrenoreceptor alpha1c alpha 1C-adrenergic receptor alpha-1A adrenergic receptor Alpha-1A adrenoceptor Alpha-1A adrenoreceptor Alpha-1C adrenergic receptor Alpha-adrenergic receptor 1c alpha1A-adrenoceptor [ Show all ]
Disease	Urinary incontinence Benign prostatic hyperplasia Cognitive disorders Female sexual dysfunction Glaucoma Hypertension Major depressive disorder Pain Post-traumatic stress disorder Prostate cancer; Benign prostatic hyperplasia Prostate disease Prostate hyperplasia Stress urinary incontinence Unspecified [ Show all ]
Length	466
Amino acid sequence	MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAPAGGSGMASAKTKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLCRKQSSKHALGYTLHPPSQAVEGQHKDMVRIPVGSRETFYRISKTDGVCEWKFFSSMPRGSARITVSKDQSSCTTARVRSKSFLQVCCCVGPSTPSLDKNHQVPTIKVHTISLSENGEEV
UniProt	P35348
Protein Data Bank	N/A
GPCR-HGmod model	P35348
3D structure model	This predicted structure model is from GPCR-EXP P35348.
BioLiP	N/A
Therapeutic Target Database	T92609
ChEMBL	CHEMBL229
IUPHAR	22
DrugBank	BE0000501

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
EC50	9.0 nM	PMID18400496	BindingDB,ChEMBL
EC50	600.0 nM	PMID12238918	BindingDB,ChEMBL
Emax	96.0 %	PMID18400496	ChEMBL

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