Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M1
Ligand
BDBM50549896
Substrate
n/a
Meas. Tech.
ChEMBL_2026002 (CHEMBL4679815)
IC50
8.7±n/a nM
Citation
 Schrader, TO; Xiong, Y; Lorenzana, AO; Broadhead, A; Stebbins, KJ; Poon, MM; Baccei, C; Lorrain, DS Discovery of PIPE-359, a Brain-Penetrant, Selective M ACS Med Chem Lett 12:155-161 (2021) [PubMed]  Article 
Target
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:
MNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPETPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDPEAQAPTKQPPRSSPNTVKRPTKKGRDRAGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTINPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
  
Inhibitor
Name:
BDBM50549896
Synonyms:
CHEMBL4784357
Type:
Small organic molecule
Emp. Form.:
C22H21N5O3S2
Mol. Mass.:
467.564
SMILES:
O=C(CCS(=O)(=O)c1cccc2ncsc12)N1C2CCC1CN(C2)c1ccc(cn1)C#N |THB:24:22:16:18.19|
Structure:
Search PDB for entries with ligand similarity: