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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	Benoxathian
Molecular formula	C19H23NO4S
IUPAC name	N-(2,3-dihydro-1,4-benzoxathiin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine
Molecular weight	361.456
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.4
Synonyms	1,4-Benzoxathiin-2-methanamine, N-(2-(2,6-dimethoxyphenoxy)ethyl)-2,3-dihydro- N-(2,3-dihydro-1,4-benzoxathiin-2-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine NCGC00015120-03 AC1Q702C LS-186845 1,4-benzoxathiin-2-methanamine, n-[2-(2,6-dimethoxyphenoxy)ethyl]-2,3-dihydro- CAS_2325 N-[2-(2,6-Dimethoxyphenoxy)ethyl]-2,3-dihydro-1,4-benzoxathiin-2-methanamine 92642-94-9 CHEMBL191044 NCGC00162098-01 BDBM86232 LS-187506 2-(((2-(2,6-Dimethoxyphenoxy)ethyl)amino)methyl)-1,4-benzoxathian CCG-204320 NCGC00015120-02 AC1L1DFC Lopac0_000225 NSC_2325 [ Show all ]
Inchi Key	QAUVAHYHKLRJCQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H23NO4S/c1-21-16-7-5-8-17(22-2)19(16)23-11-10-20-12-14-13-25-18-9-4-3-6-15(18)24-14/h3-9,14,20H,10-13H2,1-2H3
PubChem CID	2325
ChEMBL	CHEMBL191044
IUPHAR	N/A
BindingDB	86232
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	7600.0 nM	PMID12757844	BindingDB

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