Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M1
Ligand
BDBM54993
Substrate
n/a
Meas. Tech.
ChEMBL_882201 (CHEMBL2215474)
Ki
>1000000±n/a nM
Citation
 Daval, SB; Valant, C; Bonnet, D; Kellenberger, E; Hibert, M; Galzi, JL; Ilien, B Fluorescent derivatives of AC-42 to probe bitopic orthosteric/allosteric binding mechanisms on muscarinic M1 receptors. J Med Chem 55:2125-43 (2012) [PubMed]  Article 
Target
Name:
Muscarinic acetylcholine receptor M1
Synonyms:
Cholinergic receptor, muscarinic 1 | Cholinergic, muscarinic M1 | ACM1_HUMAN | CHRM1
Type:
Protein
Mol. Mass.:
51442.54
Organism:
Human
Description:
P11229
Residue:
460
Sequence:
MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPETPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDPEAQAPTKQPPRSSPNTVKRPTKKGRDRAGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTINPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
  
Inhibitor
Name:
BDBM54993
Synonyms:
sodium;4-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzene-1,3-disulfonate | sodium;4-[3-(diethylamino)-6-diethylazaniumylidene-xanthen-9-yl]benzene-1,3-disulfonate | MLS001195097 | cid_9916275 | SMR000554424 | 4-[6-(diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl]benzene-1,3-disulfonate | sodium;4-[3-(diethylamino)-6-diethyliminio-9-xanthenyl]benzene-1,3-disulfonate | sodium;4-[3-(diethylamino)-6-diethyliminio-xanthen-9-yl]benzene-1,3-disulfonate
Type:
Small organic molecule
Emp. Form.:
C27H29N2O7S2-
Mol. Mass.:
557.14
SMILES:
CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S([O-])(=O)=O)c3ccc(cc3oc2c1)=[N+](CC)CC |(3.08,-3.75,;4.41,-2.97,;5.75,-3.74,;5.75,-5.28,;4.42,-6.05,;7.08,-2.96,;7.08,-1.36,;8.47,-.56,;9.85,-1.39,;11.18,-.62,;10.41,.72,;8.87,.72,;8.1,2.05,;8.87,3.38,;10.41,3.38,;11.18,2.05,;12.72,2.05,;12.72,3.59,;14.26,2.05,;12.72,.51,;8.1,4.72,;7.33,6.05,;6.77,3.95,;9.44,5.49,;12.52,-1.39,;13.89,-.56,;15.29,-1.36,;15.29,-2.96,;13.89,-3.75,;12.52,-2.93,;11.18,-3.7,;9.85,-2.93,;8.47,-3.75,;16.62,-3.74,;16.61,-5.28,;17.94,-6.05,;17.96,-2.97,;19.29,-3.75,)|
Structure:
Search PDB for entries with ligand similarity: