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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	CHEMBL432192
Molecular formula	C15H22N4O
IUPAC name	N-butan-2-yl-2-(4,5-dihydro-1H-imidazol-2-ylmethylamino)benzamide
Molecular weight	274.368
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	2.1
Synonyms	BBAKYBVOEXDMMA-UHFFFAOYSA-N BDBM50219129 N-(sec-butyl)-2-[(4,5-dihydro-1H-imidazol-2-ylmethyl)amino]benzamide SCHEMBL6366136
Inchi Key	BBAKYBVOEXDMMA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H22N4O/c1-3-11(2)19-15(20)12-6-4-5-7-13(12)18-10-14-16-8-9-17-14/h4-7,11,18H,3,8-10H2,1-2H3,(H,16,17)(H,19,20)
PubChem CID	22493411
ChEMBL	CHEMBL432192
IUPHAR	N/A
BindingDB	50219129
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	501.0 nM	PMID11597419	BindingDB
EC50	501.19 nM	PMID11597419	ChEMBL
Max	82.0 %	PMID11597419	ChEMBL

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