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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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GPCR

Name	Alpha-2C adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra2c
Synonym	alpha2C-adrenoceptor alpha2-C4 Alpha-2CAR alpha-2C adrenoreceptor Alpha-2C adrenoceptor alpha-2C adrenergic receptor alpha-2 adrenergic receptor subtype C4 adrenergic receptor Adrenergic alpha2C- receptor class I ADRA2RL2 ADRA2L2 Adra-2c [ Show all ]
Disease	N/A for non-human GPCRs
Length	458
Amino acid sequence	MASPALAAALAAAAAEGPNGSDAGEWGSGGGANASGTDWGPPPGQYSAGAVAGLAAVVGFLIVFTVVGNVLVVIAVLTSRALRAPQNLFLVSLASADILVATLVMPFSLANELMAYWYFGQVWCGVYLALDVLFCTSSIVHLCAISLDRYWSVTQAVEYNLKRTPRRVKATIVAVWLISAVISFPPLVSFYRRPDGAAYPQCGLNDETWYILSSCIGSFFAPCLIMGLVYARIYRVAKLRTRTLSEKRGPAGPDGASPTTENGLGKAAGENGHCAPPRTEVEPDESSAAERRRRRGALRRGGRRREGAEGDTGSADGPGPGLAAEQGARTASRSPGPGGRLSRASSRSVEFFLSRRRRARSSVCRRKVAQAREKRFTFVLAVVMGVFVLCWFPFFFSYSLYGICREACQLPEPLFKFFFWIGYCNSSLNPVIYTVFNQDFRRSFKHILFRRRRRGFRQ
UniProt	P22086
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	CHEMBL314
IUPHAR	N/A
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	CAS_87051-46-5 UNII-4I933V848G NSC_65652 4I933V848G Butanserina [Spanish] Butanserinum R 53393 AC1L23P2 CHEMBL1742433 ZINC2019989 3-(4-(4-(p-Fluorobenzoyl)piperidino)butyl)-2,4(1H,3H)quinazolinedione Butanserin [INN] PDSP1_000836 Butanserine Butanserinum [Latin] SCHEMBL875652 BDBM81980 DTXSID40236109 3-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-1H-quinazoline-2,4-dione Butanserina Butanserine [French] PDSP2_000823 87051-46-5 [ 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	60.0 nM	PMID2876905	BindingDB
Ki	66.0 nM	PMID2876905	BindingDB
Ki	75.9 nM	PMID2877462	BindingDB
Ki	400.0 nM	PMID2876905	BindingDB
Ki	500.0 nM	PMID2876905	BindingDB

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