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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	Setoperone
Molecular formula	C21H24FN3O2S
IUPAC name	6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Molecular weight	401.5
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.8
Synonyms	BDBM81814 D02686 LS-177935 RBGAHDDQSRBDOG-UHFFFAOYSA-N Setoperone [USAN:INN] 6-(2-(4-(p-fluorobenzoyl)piperidino)ethyl)-2,3-dihydro-7-methyl-5h-thiazolo[3,2-a]pyrimidin-5-one C21H24FN3O2S DSSTox_RID_97521 PDSP1_001662 Setoperona Tox21_113942 5H-Thiazolo[3,2-a]pyrimidin-5-one,6-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2,3-dihydro-7-methyl- AC1Q4NI0 CHEMBL2105437 FT-0738877 R 52,245 Setoperone (USAN/INN) 6-(2-(4-(p-Fluorobenzoyl)piperidino)ethyl)-2,3-dihydro-7-methyl-5H-thiazolo(3,2-a)pyrimidin-5-one BQ67CS3Q3E DSSTox_CID_31637 NCGC00262950-01 SCHEMBL122185 Setoperonum 18F-fluorosetoperone 6-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2,3-dihydro-7-methyl-5H-thiazolo[3,2-a]pyrimidin-5-one CAS-86487-64-1 DTXSID9057848 PDSP2_001208 Setoperona [Spanish] UNII-BQ67CS3Q3E 5H-Thiazolo[3,2a]pyrimidin-5-one, 6-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2,3-dihydro-7-methyl- 86487-64-1 AKOS030530828 CTK5F6859 L000809 R-52245 SETOPERONE > 95 % 6-(2-(4-(p-Fluorobenzoyl)piperidino)ethyl)-2,3-dihydro-7-methyl-5H-thiazolo(3,2-alpha)pyrimidin-5-one C-33108 DSSTox_GSID_57848 PDSP1_001224 SEPTOPERONE Setoperonum [Latin] 5H-Thiazolo(3,2-a)pyrimidin-5-one, 6-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-2,3-dihydro-7-methyl- 6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one AC1L2A34 CAS_86487-64-1 fluorine-18-setoperone PDSP2_001646 ZINC538339 6-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)-7-methyl-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one [ Show all ]
Inchi Key	RBGAHDDQSRBDOG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H24FN3O2S/c1-14-18(20(27)25-12-13-28-21(25)23-14)8-11-24-9-6-16(7-10-24)19(26)15-2-4-17(22)5-3-15/h2-5,16H,6-13H2,1H3
PubChem CID	68604
ChEMBL	N/A
IUPHAR	N/A
BindingDB	81814
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	1.0 nM	PMID2876905	BindingDB
Ki	10.0 nM	PMID2876905	BindingDB
Ki	50.0 nM	PMID2876905	BindingDB
Ki	52.0 nM	PMID2876905	BindingDB

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