Reaction Details | |||
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Target | Muscarinic acetylcholine receptor M1 | ||
Ligand | BDBM50401040 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1972570 (CHEMBL4605388) | ||
Kd | 794±n/a nM | ||
Citation | She, X; Pegoli, A; Gruber, CG; Wifling, D; Carpenter, J; Hübner, H; Chen, M; Wan, J; Bernhardt, G; Gmeiner, P; Holliday, ND; Keller, M Red-Emitting Dibenzodiazepinone Derivatives as Fluorescent Dualsteric Probes for the Muscarinic Acetylcholine M J Med Chem63:4133-4154 (2020) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Muscarinic acetylcholine receptor M1 | |||
Name: | Muscarinic acetylcholine receptor M1 | ||
Synonyms: | ACM1_HUMAN | CHRM1 | Cholinergic receptor, muscarinic 1 | Cholinergic, muscarinic M1 | ||
Type: | Protein | ||
Mol. Mass.: | 51442.54 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P11229 | ||
Residue: | 460 | ||
Sequence: |
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BDBM50401040 | |||
n/a | |||
Name | BDBM50401040 | ||
Synonyms: | CHEMBL2206333 | ||
Type | Small organic molecule | ||
Emp. Form. | C48H62N4O7S2 | ||
Mol. Mass. | 871.158 | ||
SMILES | CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCC3CCN(CCCC(=O)c4ccccc4C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |(39.75,-15.81,;41.08,-16.58,;42.41,-15.81,;42.41,-14.27,;41.08,-13.5,;43.75,-16.58,;43.74,-18.13,;45.08,-18.9,;46.42,-18.13,;47.76,-18.9,;47.76,-20.44,;46.43,-21.2,;46.44,-22.74,;47.77,-23.51,;49.11,-22.73,;49.1,-21.19,;50.42,-20.41,;51.77,-21.17,;49.65,-19.07,;51.19,-19.07,;47.77,-25.04,;47.37,-26.53,;46.28,-25.44,;49.1,-25.81,;49.1,-27.35,;47.76,-28.12,;46.43,-27.35,;45.1,-28.12,;43.76,-27.35,;42.43,-28.12,;41.11,-27.34,;39.77,-28.1,;39.77,-29.65,;38.43,-30.41,;37.1,-29.63,;35.76,-30.4,;34.43,-29.62,;34.44,-28.08,;33.09,-30.38,;33.09,-31.92,;31.76,-32.68,;30.42,-31.91,;30.43,-30.36,;31.77,-29.6,;31.78,-28.06,;41.1,-30.42,;42.44,-29.66,;49.1,-18.12,;50.44,-18.9,;51.79,-18.12,;51.79,-16.56,;50.44,-15.78,;49.1,-16.56,;47.75,-15.79,;46.41,-16.58,;45.08,-15.81,;53.12,-15.79,;53.12,-14.25,;54.46,-13.48,;54.46,-16.56,;55.79,-15.79,)| | ||
Structure |