Reaction Details Report a problem with these data
Target
Muscarinic acetylcholine receptor M3
Ligand
BDBM50427130
Substrate
n/a
Meas. Tech.
ChEMBL_940447 (CHEMBL2329445)
Ki
71000±n/a nM
Citation
 Wang, ZP; Liu, HZ; Zhu, L; Hu, YM; Cui, YY; Niu, YY; Lu, Y; Chen, HZ The effect of absolute configuration on activity, subtype selectivity (M3/M2) of 3a-acyloxy-6ß-acetoxyltropane derivatives as muscarinic M3 receptor antagonists. Bioorg Med Chem 21:1234-9 (2013) [PubMed]  Article 
Target
Name:
Muscarinic acetylcholine receptor M3
Synonyms:
ACM3_RAT | Cholinergic, muscarinic M3 | Chrm-3 | Chrm3
Type:
Enzyme Catalytic Domain
Mol. Mass.:
66086.66
Organism:
RAT
Description:
Cholinergic, muscarinic M3 CHRM3 RAT::P08483
Residue:
589
Sequence:
MTLHSNSTTSPLFPNISSSWVHSPSEAGLPLGTVTQLGSYNISQETGNFSSNDTSSDPLGGHTIWQVVFIAFLTGFLALVTIIGNILVIVAFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLSIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAEAENFVHPTGSSRSCSSYELQQQGVKRSSRRKYGRCHFWFTTKSWKPSAEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSSILNSTKLPSSDNLQVSNEDLGTVDVERNAHKLQAQKSMGDGDNCQKDFTKLPIQLESAVDTGKTSDTNSSADKTTATLPLSFKEATLAKRFALKTRSQITKRKRMSLIKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTYWNLGYWLCYINSTVNPVCYALCNKTFRTTFKTLLLCQCDKRKRRKQQYQQRQSVIFHKRVPEQAL
  
Inhibitor
Name:
BDBM50427130
Synonyms:
CHEMBL2323447
Type:
Small organic molecule
Emp. Form.:
C17H21NO4
Mol. Mass.:
303.3529
SMILES:
CN1[C@@H]2C[C@@H](OC(C)=O)[C@@H]1C[C@H](C2)OC(=O)c1ccccc1 |r,TLB:5:4:1:11.10.12,THB:13:11:1:4.3|
Structure:
Search PDB for entries with ligand similarity: