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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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Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	Alpha-2A adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra2a
Synonym	CA2-47 alpha2D alpha2A-AR alpha2A-adrenoceptor alpha2A-adrenergic receptor alpha2A Alpha-2D adrenergic receptor Alpha-2AAR Alpha-2A adrenoreceptor Alpha-2A adrenoceptor adrenergic receptor Adrenergic alpha 2A receptor ADRA2R ADRA2 Adra-2a Adra-2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	450
Amino acid sequence	MGSLQPDAGNSSWNGTEAPGGGTRATPYSLQVTLTLVCLAGLLMLFTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKVWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIVTVWVISAVISFPPLISIEKKGAGGGQQPAEPSCKINDQKWYVISSSIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDACSAPPGGADRRPNGLGPERGAGTAGAEAEPLPTQLNGAPGEPAPTRPRDGDALDLEESSSSEHAERPQGPGKPERGPRAKGKTKASQVKPGDSLPRRGPGAAGPGASGSGQGEERAGGAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLIAVGCPVPYQLFNFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProt	P22909
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	CHEMBL327
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	SK&F-104078
Molecular formula	C16H22ClNO
IUPAC name	6-chloro-3-methyl-9-(3-methylbut-2-enoxy)-1,2,4,5-tetrahydro-3-benzazepine
Molecular weight	279.808
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	4.4
Synonyms	SCHEMBL8091302 SK-104078 AC1L3UBS D08OWQ PDSP1_000610 skf104078 1H-3-Benzazepine,6-chloro-2,3,4,5-tetrahydro-3-methyl-9-[(3-methyl-2-buten-1-yl)oxy]- BRD-K62103095-001-01-6 SK&F 104078 6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4,5-tetrahydro-1H-benzo[d]azepine CHEMBL114166 DTXSID40149402 Skf 104078 110857-22-2 ACMC-20mdr0 PDSP2_000607 UNII-22XBK6DY1E 22XBK6DY1E CHEBI:125603 6-chloro-3-methyl-9-(3-methylbut-2-enoxy)-1,2,4,5-tetrahydro-3-benzazepine CTK4A7072 LS-172138 SKF-104078 1H-3-Benzazepine, 6-chloro-2,3,4,5-tetrahydro-3-methyl-9-((3-methyl-2-butenyl)oxy)- BDBM50030623 [ Show all ]
Inchi Key	MBYSTKNEMJZSIK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H22ClNO/c1-12(2)8-11-19-16-5-4-15(17)13-6-9-18(3)10-7-14(13)16/h4-5,8H,6-7,9-11H2,1-3H3
PubChem CID	122295
ChEMBL	CHEMBL114166
IUPHAR	N/A
BindingDB	50030623
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	244.0 nM	PMID11408545	BindingDB
Ki	248.0 nM	PMID7965790	BindingDB
Ki	313.0 nM	PMID7658428	BindingDB,ChEMBL

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