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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.
Go to the GPCR page and check other ligands which interact with it.
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	Butanserin
Molecular formula	C24H26FN3O3
IUPAC name	3-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1H-quinazoline-2,4-dione
Molecular weight	423.488
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	3.3
Synonyms	87051-46-5 Butanserine [French] PDSP2_000823 CAS_87051-46-5 UNII-4I933V848G 4I933V848G Butanserina [Spanish] NSC_65652 AC1L23P2 Butanserinum R 53393 3-(4-(4-(p-Fluorobenzoyl)piperidino)butyl)-2,4(1H,3H)quinazolinedione Butanserin [INN] CHEMBL1742433 ZINC2019989 Butanserine PDSP1_000836 BDBM81980 Butanserinum [Latin] SCHEMBL875652 3-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1H-quinazoline-2,4-dione Butanserina DTXSID40236109 [ Show all ]
Inchi Key	MLDQSYUQSLUEPG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H26FN3O3/c25-19-9-7-17(8-10-19)22(29)18-11-15-27(16-12-18)13-3-4-14-28-23(30)20-5-1-2-6-21(20)26-24(28)31/h1-2,5-10,18H,3-4,11-16H2,(H,26,31)
PubChem CID	65652
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81980
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	0.45 nM	PMID2876905	BindingDB
Ki	1.86 nM	PMID2877462	BindingDB

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