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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	CHEMBL287791
Molecular formula	C28H32F3N3O2
IUPAC name	(4R)-4-(3,4-difluorophenyl)-N-[3-[4-(4-fluorophenyl)piperidin-1-yl]propyl]-1,6-dimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
Molecular weight	499.578
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.9
Synonyms	(4R)-N-[3-[4-(4-Fluorophenyl)piperidino]propyl]-1,2-dimethyl-4beta-(3,4-difluorophenyl)-1,4,5,6-tetrahydro-6-oxo-pyridine-3-carboxamide BDBM50090331 SCHEMBL7932823 (R)-4-(3,4-Difluoro-phenyl)-1,2-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyridine-3-carboxylic acid {3-[4-(4-fluoro-phenyl)-piperidin-1-yl]-propyl}-amide
Inchi Key	AADBHVDMLFAXQC-HSZRJFAPSA-N
Inchi ID	InChI=1S/C28H32F3N3O2/c1-18-27(23(17-26(35)33(18)2)21-6-9-24(30)25(31)16-21)28(36)32-12-3-13-34-14-10-20(11-15-34)19-4-7-22(29)8-5-19/h4-9,16,20,23H,3,10-15,17H2,1-2H3,(H,32,36)/t23-/m1/s1
PubChem CID	44289100
ChEMBL	CHEMBL287791
IUPHAR	N/A
BindingDB	50090331
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	0.7 nM	PMID10937710	ChEMBL
Ki	0.7 nM	PMID10937710	BindingDB

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