Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M2
Ligand
BDBM50557940
Substrate
n/a
Meas. Tech.
ChEMBL_2060793 (CHEMBL4716046)
Kd
2.40±n/a nM
Citation
 Gruber, CG; Pegoli, A; Müller, C; Grätz, L; She, X; Keller, M Differently fluorescence-labelled dibenzodiazepinone-type muscarinic acetylcholine receptor ligands with high M RSC Med Chem 11:823-832 (2020) [PubMed]  Article 
Target
Name:
Muscarinic acetylcholine receptor M2
Synonyms:
ACM2_HUMAN | CHRM2 | Cholinergic, muscarinic M2 | Muscarinic acetylcholine receptor M2 and M4 | Muscarinic acetylcholine receptor M2 and M5 | RecName: Full=Muscarinic acetylcholine receptor M2
Type:
GPCR
Mol. Mass.:
51730.61
Organism:
Homo sapiens (Human)
Description:
P08172
Residue:
466
Sequence:
MNNSTNSSNNSLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVNNYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNASVMNLLIISFDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYIQFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIKKDKKEPVANQDPVSPSLVQGRIVKPNNNNMPSSDDGLEHNKIQNGKAPRDPVTENCVQGEEKESSNDSTSVSAVASNMRDDEITQDENTVSTSLGHSKDENSKQTCIRIGTKTPKSDSCTPTNTTVEVVGSSGQNGDEKQNIVARKIVKMTKQPAKKKPPPSREKKVTRTILAILLAFIITWAPYNVMVLINTFCAPCIPNTVWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATR
  
Inhibitor
Name:
BDBM50557940
Synonyms:
CHEMBL4789147
Type:
Small organic molecule
Emp. Form.:
C61H63F6N9O11
Mol. Mass.:
1212.197
SMILES:
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCNC(=O)CCc3cn(CCCCC4CCN(CC(=O)N5c6ccccc6NC(=O)c6ccccc56)CC4)cn3)c3ccc(cc3oc2c1)=[N+](C)C |(55.74,-15.63,;54.4,-14.86,;54.4,-13.32,;53.06,-15.63,;51.72,-14.86,;53.06,-17.18,;51.71,-16.4,;49.39,-15,;48.05,-14.23,;48.05,-12.68,;46.71,-15,;45.36,-14.23,;46.71,-16.54,;45.36,-15.77,;69.03,-5.05,;67.69,-4.29,;67.69,-2.75,;66.36,-5.06,;65.03,-4.3,;63.7,-5.07,;63.69,-6.61,;62.36,-7.38,;61.03,-6.61,;61.04,-5.07,;59.71,-4.29,;58.37,-5.06,;58.37,-6.61,;59.7,-7.37,;59.7,-8.91,;58.37,-9.68,;60.09,-10.4,;57.04,-4.29,;57.04,-2.75,;55.7,-5.06,;54.37,-4.29,;53.03,-5.05,;51.7,-4.28,;50.37,-5.05,;50.36,-6.59,;49.03,-4.28,;47.7,-5.05,;47.7,-6.59,;46.45,-7.49,;46.93,-8.95,;46.14,-10.28,;44.61,-10.27,;43.82,-11.6,;42.28,-11.58,;41.5,-12.91,;39.97,-12.89,;39.19,-14.21,;39.94,-15.56,;39.15,-16.88,;37.61,-16.86,;36.86,-15.52,;36.83,-18.19,;37.67,-19.46,;39.17,-19.12,;40.22,-20.26,;39.75,-21.74,;38.25,-22.07,;37.21,-20.93,;35.69,-21.52,;34.45,-20.7,;33.17,-21.55,;34.23,-19.17,;32.74,-18.82,;32.3,-17.35,;33.35,-16.22,;34.85,-16.58,;35.29,-18.05,;41.48,-15.57,;42.27,-14.25,;48.47,-8.96,;48.95,-7.49,;62.36,-8.92,;61.02,-9.68,;61.01,-11.22,;62.36,-12,;63.69,-11.23,;63.69,-9.69,;65.03,-8.93,;65.03,-7.39,;66.37,-6.61,;62.36,-13.54,;61.02,-14.31,;63.69,-14.31,)|
Structure:
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