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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	UPIDOSIN
Molecular formula	C31H33N3O4
IUPAC name	N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
Molecular weight	511.622
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.8
Synonyms	3-Methyl-4-oxo-2-phenyl-4H-chromene-8-carboxylic acid {3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-amide BDBM50057465 L000508 SB 216469-S TXG28R7G4Y 4H-1-Benzopyran-8-carboxamide,N-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-3-methyl-4-oxo-2-phenyl- CTK4C7558 Rec 15-2739 Upidosin [INN] ACMC-20n6iu DTXSID70165115 REC-22/009 N-(3-(4-(o-Methoxyphenyl)-1-piperazinyl)propyl)-3-methyl-4-oxo-2-phenyl-4H-1-benzopyran-8-carboxamide SB-216469 UNII-TXG28R7G4Y D09TDS Rec 15/2739 ZINC3796141 152735-23-4 AKOS030553705 GTPL496 SB 216469 SCHEMBL6638869 4H-1-Benzopyran-8-carboxamide, N-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)-3-methyl-4-oxo-2-phenyl- CHEMBL278865 N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide AC1L3XX2 D0P9FT Rec-15-2739 [ Show all ]
Inchi Key	DUCNHKDCVVSJLG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C31H33N3O4/c1-22-28(35)24-12-8-13-25(30(24)38-29(22)23-10-4-3-5-11-23)31(36)32-16-9-17-33-18-20-34(21-19-33)26-14-6-7-15-27(26)37-2/h3-8,10-15H,9,16-21H2,1-2H3,(H,32,36)
PubChem CID	148842
ChEMBL	CHEMBL278865
IUPHAR	496
BindingDB	50057465
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2.0 nM	PMID9135028	BindingDB,ChEMBL
Kd	3.802 nM	PMID12904082	ChEMBL

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