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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	CHEMBL287587
Molecular formula	C8H10FNO3
IUPAC name	4-(2-amino-1-hydroxyethyl)-3-fluorobenzene-1,2-diol
Molecular weight	187.17
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	-0.5
Synonyms	4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-1,2-diol Benzenethanamine, 2-fluoro-.beta.,3,4-trihydroxy- 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-3-fluoro- 4-(2-amino-1-hydroxyethyl)-3-fluorobenzene-1,2-diol FOTRTWXNJQSQJS-UHFFFAOYSA-N 3-Fluoro-4-(1-hydroxy-2-aminoethyl)pyrocatechol AC1L59C1 (+/-)4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-1,2-diol 4-(2-Amino-1-hydroxy-ethyl)-3-fluoro-benzene-1,2-diol(2-FNE) 1,2-Benzenediol, 4-(2-amino-1-hydroxyethyl)-3-fluoro-, (+-)- 3-Fluoronorepinephrine BDBM50019060 4-(2-Amino-1-hydroxyethyl)-3-fluoro-1,2-benzenediol # 2-Fluoronorepinephrine 71144-40-6 [ Show all ]
Inchi Key	FOTRTWXNJQSQJS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C8H10FNO3/c9-7-4(6(12)3-10)1-2-5(11)8(7)13/h1-2,6,11-13H,3,10H2
PubChem CID	172745
ChEMBL	CHEMBL287587
IUPHAR	N/A
BindingDB	50019060
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	71000.0 nM	PMID2845082	BindingDB,ChEMBL
Ki	<50000.0 nM	PMID2845082	BindingDB,ChEMBL

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