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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	Skf-83959
Molecular formula	C18H20ClNO2
IUPAC name	9-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
Molecular weight	317.813
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	3.6
Synonyms	D0L3MJ NCGC00015940-04 6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol BDBM50274531 L000850 SK&F 83959 80751-85-5 CCG-205144 N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol SKF83959 5H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-3-methyl-1-(3-methylphenyl)- AC1L32YR DTXSID8043818 NCGC00025350-02 6-chloro-3-methyl-1-m-tolyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol hydrobromide BRD-A04260165-004-02-4 CHEBI:64001 Lopac0_001067 SKF 83959 3-Methyl-6-chloro-2,3,4,5-tetrahydro-7,8-dihydroxy-1-(3-methylphenyl)-1H-3-benzazepine CHEMBL574558 NCGC00015940-03 6-chloro-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol AC1Q3LHH GTPL8443 SCHEMBL2970804 6-Chloro-3-methyl-1-m-tolyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrobromide C18H20ClNO2 CHEMBL520992 LS-177585 9-chloro-3-methyl-5-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol [ Show all ]
Inchi Key	JXMYTVOBSFOHAF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20ClNO2/c1-11-4-3-5-12(8-11)15-10-20(2)7-6-13-14(15)9-16(21)18(22)17(13)19/h3-5,8-9,15,21-22H,6-7,10H2,1-2H3
PubChem CID	133538
ChEMBL	CHEMBL574558
IUPHAR	8443
BindingDB	50274531
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	295.0 nM	PMID12921854	BindingDB

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