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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Alpha-1A adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1a
Synonym	alpha1c alpha1A-adrenoceptor alpha1a Alpha-1C adrenergic receptor Alpha-1A adrenoreceptor Alpha-1A adrenoceptor alpha-1A adrenergic receptor ADRA1C alpha 1C-adrenergic receptor alpha 1A-adrenoreceptor alpha 1A-adrenoceptor adrenergic receptor, alpha 1a adrenergic receptor alpha 1c adrenergic alpha 1c receptor ADRA1L1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
UniProt	P43140
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL319
IUPHAR	22
DrugBank	N/A

Ligand

Name	Reboxetine
Molecular formula	C19H23NO3
IUPAC name	(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine
Molecular weight	313.397
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.0
Synonyms	BRD-K32814891-001-01-1 Davedax (TN) LS-178388 Prolift (TN) Solvex (TN) (2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine 98769-81-4 CTK5I0084 Esreboxetine Norebox Reboxetine [INN] UNII-L8S50ZY490 (+)-(2S)-2-((S)-(2-Ethoxyphenoxy)phenylmethyl)morpholine (S,S)-( )-Reboxetine AJ-08295 API0006066 D0N8FQ GTPL4808 PNU-165442G SCHEMBL34534 ZINC6923 (2R)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine CHEBI:125535 DB12395 Morpholine, 2-((S)-(2-ethoxyphenoxy)phenylmethyl)-, (2S)- Tocris-1982 (2S)-2-[(S)-(2-ETHOXYPHENOXY)BENZYL]MORPHOLINE 98819-76-2 AKOS027393802 D01NJT Esreboxetine (USAN/INN) Norebox (TN) Reboxitine Vestra (+-)-(2R)-2-((alphaR)-alpha-(o-Ethoxyphenoxy)benzyl)morpholine (S,S)-reboxetine BDBM35226 Davedax L8S50ZY490 Prolift Solvex (2S)-2-[(S)-(2-ethoxyphenoxy)-phenyl-methyl]morpholine 819S762 CHEMBL180101 Edronax (TN) NCGC00025335-01 Reboxetine (INN) UNII-947S0YZ36I component CBQGYUDMJHNJBX-OALUTQOASA-N (2S)-2-[(S)-2-ethoxyphenoxy(phenyl)methyl]morpholine AC1L2442 AN-4973 D09340 Esreboxetine [USAN:INN] PNU 165442g S-Reboxetine Vestra (TN) (2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine 2-((2-ethoxyphenoxy)benzyl)morpholine methanesulfonate [ Show all ]
Inchi Key	CBQGYUDMJHNJBX-OALUTQOASA-N
Inchi ID	InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m0/s1
PubChem CID	65856
ChEMBL	N/A
IUPHAR	N/A
BindingDB	35226
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	<10000.0 nM	PMID11454918	BindingDB

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