Reaction Details | |||
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Target | Beta-2 adrenergic receptor | ||
Ligand | BDBM50569290 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2108813 (CHEMBL4817488) | ||
Ki | 0.012589±n/a nM | ||
Citation | Rancati, F; Linney, ID; Rizzi, A; Delcanale, M; Knight, CK; Schmidt, W; Pastore, F; Riccardi, B; Mileo, V; Carnini, C; Cesari, N; Blackaby, WP; Patacchini, R; Carzaniga, L Discovery of a novel class of inhaled dual pharmacology muscarinic antagonist and ? Bioorg Med Chem Lett41:0 (2021) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Beta-2 adrenergic receptor | |||
Name: | Beta-2 adrenergic receptor | ||
Synonyms: | ADRB2 | ADRB2R | ADRB2_HUMAN | B2AR | Beta-2 adrenoceptor | Beta-2 adrenoreceptor | ||
Type: | n/a | ||
Mol. Mass.: | 46461.69 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P07550 | ||
Residue: | 413 | ||
Sequence: |
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BDBM50569290 | |||
n/a | |||
Name | BDBM50569290 | ||
Synonyms: | CHEMBL4871517 | ||
Type | Small organic molecule | ||
Emp. Form. | C49H51N5O7 | ||
Mol. Mass. | 821.9585 | ||
SMILES | O[C@@H](CNCCCNC(=O)c1ccc(COc2cccc(c2)-c2ccc(cc2)[C@@H](NC(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:33.34,1.0,wD:28.30,(31.17,-6.07,;32.5,-6.84,;33.84,-6.06,;35.17,-6.83,;36.5,-6.05,;37.84,-6.82,;39.17,-6.05,;40.51,-6.81,;41.84,-6.04,;41.83,-4.5,;43.17,-6.8,;43.18,-8.34,;44.51,-9.11,;45.84,-8.33,;47.18,-9.1,;48.51,-8.32,;49.85,-9.08,;49.85,-10.62,;51.19,-11.38,;52.52,-10.61,;52.51,-9.06,;51.17,-8.3,;53.84,-8.28,;55.17,-9.04,;56.51,-8.27,;56.5,-6.72,;55.16,-5.96,;53.84,-6.74,;57.83,-5.94,;59.17,-6.7,;60.5,-5.92,;60.49,-4.38,;61.84,-6.69,;63.17,-5.91,;63.15,-4.38,;64.49,-3.61,;65.83,-4.37,;65.83,-5.91,;64.5,-6.68,;65.2,-5.33,;63.71,-4.93,;57.82,-4.4,;59.15,-3.63,;59.15,-2.09,;57.81,-1.33,;56.47,-2.11,;56.49,-3.65,;45.83,-6.78,;44.5,-6.02,;32.51,-8.38,;31.18,-9.15,;31.18,-10.69,;32.51,-11.46,;32.51,-13,;33.84,-10.69,;35.17,-11.46,;36.51,-10.69,;37.85,-11.46,;36.52,-9.14,;35.18,-8.36,;33.84,-9.14,)| | ||
Structure |