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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	Cavia porcellus (Guinea pig)
Gene	ADRA2A
Synonym	Alpha-2A adrenoceptor Alpha-2A adrenoreceptor Alpha-2AAR
Disease	N/A for non-human GPCRs
Length	450
Amino acid sequence	MGSLQPDSGNASWNGTEGPGGGTRATPYSLQVTVTLVCLVGLLILLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIVTVWVISAVISFPPLISFEKAGGGGQQPAEPRCEINDQKWYVISSSIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAHAAAPPGGAERRPNGLGLERGVGPGGAEAEPLPTQVNGAPGEPAPAGPRDAEALDLEESSSSEHAERPPGARRPERGLRAKSKARASQVKPGDSLPRRAPGAAGSGTSGSGPGEERGGGAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProt	Q60474
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	N/A
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	benalfocin
Molecular formula	C11H14ClN
IUPAC name	6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine
Molecular weight	195.69
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	2.9
Synonyms	AKOS030558322 cid_10220250 LS-187466 PDSP2_000715 SMR001254100 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride C10970 DTXSID70224650 NCGC00015930-01 SK&F 86466 ZINC900633 AC1L3XO4 Lopac0_001056 NCGC00162330-01 Skf 86466 6-Chloro-2,3,4,5-tetrahydro-3-methyl-1H-3-benzazepine BDBM66983 CTK8D9445 MB01559 RSRUDTPYRBLHEO-UHFFFAOYSA-N UNII-YCN2U5UGIQ 6-chloro-3-methyl-2,3,4,5-tetrahydro-1h-3-benzazepine 73943-10-9 CCG-205133 KB-293371 NCGC00015930-02 SK&F-86466 1H-3-Benzazepine, 6-chloro-2,3,4,5-tetrahydro-3-methyl- AC1Q3P63 CHEMBL123349 LS-186796 PDSP1_000725 SKF-86466 6-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine D06UBB MLS002172470 SCHEMBL8083358 YCN2U5UGIQ 6-chloro-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine 7713-86-2 CHEBI:8986 Lopac-S-1563 NCGC00015930-03 SK-86466 6-chloranyl-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride [ Show all ]
Inchi Key	RSRUDTPYRBLHEO-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H14ClN/c1-13-7-5-9-3-2-4-11(12)10(9)6-8-13/h2-4H,5-8H2,1H3
PubChem CID	123981
ChEMBL	CHEMBL123349
IUPHAR	N/A
BindingDB	66983
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	13.0 nM	PMID2867217	BindingDB

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