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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	CHEMBL75808
Molecular formula	C24H34N6O2
IUPAC name	1-[[2-amino-6-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]pyrimidin-4-yl]methyl]piperidin-2-one
Molecular weight	438.576
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.8
Synonyms	1-[2-Amino-6-[4-(2-isopropoxyphenyl)piperazinomethyl]-4-pyrimidinylmethyl]piperidine-2-one BDBM50093218 1-{2-Amino-6-[4-(2-isopropoxy-phenyl)-piperazin-1-ylmethyl]-pyrimidin-4-ylmethyl}-piperidin-2-one
Inchi Key	BFLQALILHDTZOK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H34N6O2/c1-18(2)32-22-8-4-3-7-21(22)29-13-11-28(12-14-29)16-19-15-20(27-24(25)26-19)17-30-10-6-5-9-23(30)31/h3-4,7-8,15,18H,5-6,9-14,16-17H2,1-2H3,(H2,25,26,27)
PubChem CID	12134985
ChEMBL	CHEMBL75808
IUPHAR	N/A
BindingDB	50093218
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	79.0 nM	PMID11055359	BindingDB,ChEMBL

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