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GLASS

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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	CHEMBL13789
Molecular formula	C16H16N2O
IUPAC name	2-[(2-phenylphenoxy)methyl]-4,5-dihydro-1H-imidazole
Molecular weight	252.317
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	2.5
Synonyms	BDBM50421578 SCHEMBL3176645 2-(2-Biphenylyloxymethyl)-2-imidazoline ZINC13437787
Inchi Key	BPRZPBVOIULUSI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H16N2O/c1-2-6-13(7-3-1)14-8-4-5-9-15(14)19-12-16-17-10-11-18-16/h1-9H,10-12H2,(H,17,18)
PubChem CID	44269124
ChEMBL	CHEMBL13789
IUPHAR	N/A
BindingDB	50421578
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	3.162 nM	PMID12419381, PMID11814822	ChEMBL
EC50	3.2 nM	PMID12419381, PMID11814822	BindingDB
IC50	27.54 nM	PMID11814822	ChEMBL
IC50	28.0 nM	PMID11814822	BindingDB
IC50	66.0 nM	PMID12419381	BindingDB
IC50	66.07 nM	PMID12419381	ChEMBL
Max	96.0 %	PMID12419381, PMID11814822	ChEMBL

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