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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	CHEMBL453654
Molecular formula	C25H29N3O3
IUPAC name	2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methoxy-3-methylquinazolin-4-one
Molecular weight	419.525
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	4.0
Synonyms	6-Methoxy-3-methyl-2-[4-(1-cyclobutyl-4-piperidinyloxy)-phenyl]-4(3H)-quinazolinone 2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-6-methoxy-3-methylquinazolin-4(3H)-one AKNFPZICZLISBZ-UHFFFAOYSA-N BDBM50246333 SCHEMBL2003145
Inchi Key	AKNFPZICZLISBZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H29N3O3/c1-27-24(26-23-11-10-21(30-2)16-22(23)25(27)29)17-6-8-19(9-7-17)31-20-12-14-28(15-13-20)18-4-3-5-18/h6-11,16,18,20H,3-5,12-15H2,1-2H3
PubChem CID	11502638
ChEMBL	CHEMBL453654
IUPHAR	N/A
BindingDB	50246333
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	5900.0 nM	PMID18952421	BindingDB,ChEMBL

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