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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	CHEMBL27251
Molecular formula	C18H18N2
IUPAC name	(6S,14R)-13-methyl-13-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15)-hexaen-6-amine
Molecular weight	262.356
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	1.6
Synonyms	(1S)-6-Methyl-1,5,5aalpha,6,7,8-hexahydro-6-azabenzo[mno]aceanthrylene-1beta-amine 6-Methyl-1,5,5a,6,7,8-hexahydro-6-aza-benzo[mno]aceanthrylen-1-ylamine (1S,5aR)-6-methyl-1,5,5a,6,7,8-hexahydro-6-aza-benzo[mno]aceanthrylen-1-ylamine BDBM50087024
Inchi Key	DAKGDRVNCPHAPY-KDOFPFPSSA-N
Inchi ID	InChI=1S/C18H18N2/c1-20-8-7-10-5-6-13-17-15-11(9-14(20)16(10)17)3-2-4-12(15)18(13)19/h2-6,14,18H,7-9,19H2,1H3/t14-,18+/m1/s1
PubChem CID	10084076
ChEMBL	CHEMBL27251
IUPHAR	N/A
BindingDB	50087024
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	373.0 nM	PMID12825922	BindingDB,ChEMBL

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