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

Name	Alpha-2A adrenergic receptor
Species	Sus scrofa (Pig)
Gene	ADRA2A
Synonym	Alpha-2A adrenoceptor Alpha-2A adrenoreceptor Alpha-2AAR
Disease	N/A for non-human GPCRs
Length	450
Amino acid sequence	MGSLQPEAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLFTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIVTVWVISAVISFPPLISIEKKAGGGGQQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAAAALPGGAERRPNGLGPERGVGRVGAEAEPLPVQLNGAPGEPAPAGPRDADGLDLEESSSSEHAERPPGPRRSERGPRAKSKARASQVKPGDSLPRRGPGAPGPGAPATGAGEERGGVAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPPTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProt	P18871
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	CHEMBL2350
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	B-HT 933 dihydrochloride
Molecular formula	C9H17Cl2N3O
IUPAC name	6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine;dihydrochloride
Molecular weight	254.155
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	None
Synonyms	Azepexole dihydrochloride C9H15N3O.2HCl EU-0100177 NCGC00260862-01 Tox21_500177 4H-Oxazolo(4,5-d)azepin-2-amine, 5,6,7,8-tetrahydro-6-ethyl-, dihydrochloride 6-Ethyl-5,6,7,8-tetrahydro-4H-oxazolo[4,5-d]azepin-2-amine dihydrochloride B-HT 933 CHEMBL1335356 LS-100788 SCHEMBL10434847 ACM36067728 B7177 DSSTox_RID_81099 NCGC00015131-05 Tox21_111214 36067-72-8 5,6,7,8-Tetrahydro-6-ethyl-4H-oxazolo(4,5-d)azepin-2-amine dihydrochloride Azepexole HCl CAS-36067-72-8 FT-0714343 NSC 310831 UNII-O596V52O42 AC1L54C3 DSSTox_CID_25756 MFCD01529923 SR-01000075256 2-Amino-6-ethyl-4,5,7,8-tetrahydro-6H-oxazolo(5,4-d)azepine dihydrochloride AKOS022488641 BHT-933 DTXSID5045756 NCGC00093658-01 Tox21_111214_1 36067-73-9 (Parent) 6-ethyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine dihydrochloride Azepexole hydrochloride CCG-221481 LP00177 O596V52O42 AC1Q3AOH B-HT 933, dihydrochloride DSSTox_GSID_45756 MolPort-003-940-413 SR-01000075256-1 2-amino-6-ethyl-4,5,7,8-tetrahydro-6h-oxazolo-[5,4-d]-azepin-dihydrochloride [ Show all ]
Inchi Key	HBLPYIOKPJVFQW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C9H15N3O.2ClH/c1-2-12-5-3-7-8(4-6-12)13-9(10)11-7;;/h2-6H2,1H3,(H2,10,11);2*1H
PubChem CID	169743
ChEMBL	N/A
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<10000.0 nM	PMID10900230	PDSP

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