Ki Summary

Reaction Details

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Target

Alpha-2A adrenergic receptor

Ligand

BDBM50203558

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_454215 (CHEMBL903398)

42±n/a nM

Citation

Hagihara, K; Kashima, H; Iida, K; Enokizono, J; Uchida, S; Nonaka, H; Kurokawa, M; Shimada, J Novel 4-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)methylbenzofuran derivatives as selective alpha(2C)-adrenergic receptor antagonists. Bioorg Med Chem Lett17:1616-21 (2007) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Alpha-2A adrenergic receptor

Name:

Alpha-2A adrenergic receptor

Synonyms:

Type:

Enzyme

Mol. Mass.:

48979.91

Organism:

Homo sapiens (Human)

Description:

P08913

Residue:

465

Sequence:

MFRQEQPLAEGSFAPMGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLML
LTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAW
CEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVIS
FPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKR
RTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGP
RDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTP
AAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPR
TLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV

BDBM50203558

n/a

Name

BDBM50203558

Synonyms:

4-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-7-methoxy-N-(quinuclidin-3-yl)benzofuran-2-carboxamide | CHEMBL394218

Type

Small organic molecule

Emp. Form.

C29H35N3O5

Mol. Mass.

505.6053

SMILES

COc1cc2CCN(Cc3ccc(OC)c4oc(cc34)C(=O)NC3CN4CCC3CC4)Cc2cc1OC |w:23.24,TEB:22:23:26.27:30.29,(16.31,-37.39,;14.97,-38.15,;13.64,-37.38,;12.31,-38.14,;10.99,-37.37,;9.65,-38.14,;8.33,-37.37,;8.32,-35.83,;6.99,-35.06,;6.99,-33.52,;5.66,-32.75,;5.66,-31.2,;6.99,-30.43,;6.98,-28.9,;5.64,-28.13,;8.32,-31.2,;9.8,-30.71,;10.72,-31.96,;9.81,-33.22,;8.33,-32.75,;12.26,-31.95,;13.03,-33.28,;13.02,-30.61,;14.56,-30.63,;15.38,-31.75,;16.42,-30.44,;17.92,-30.34,;17.02,-29.25,;15.54,-29.36,;14.82,-27.89,;15.74,-28.65,;9.66,-35.05,;10.99,-35.83,;12.32,-35.07,;13.64,-35.84,;14.98,-35.08,;16.31,-35.85,)|

Structure