Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetMuscarinic acetylcholine receptor M3
LigandBDBM50381646
Substrate/Competitorn/a
Meas. Tech.ChEMBL_815844 (CHEMBL2026107)
Kd 0.0501±n/a nM
Citation Lainé, DIYan, HXie, HDavis, RSDufour, JWiddowson, KLPalovich, MRWan, ZFoley, JJSchmidt, DBHunsberger, GEBurman, MBacon, AMWebb, EFLuttmann, MASalmon, MSarau, HMUmbrecht, STLandis, PSPeck, BJBusch-Petersen, J Design, synthesis and structure-activity relationship of N-substituted tropane muscarinic acetylcholine receptor antagonists. Bioorg Med Chem Lett22:3366-9 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Muscarinic acetylcholine receptor M3
Name:Muscarinic acetylcholine receptor M3
Synonyms:ACM3_HUMAN | CHRM3 | Cholinergic, muscarinic M3 | Muscarinic Receptors M3 | Muscarinic receptor M3 | RecName: Full=Muscarinic acetylcholine receptor M3
Type:Enzyme
Mol. Mass.:66151.03
Organism:Homo sapiens (Human)
Description:P20309
Residue:590
Sequence:
MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPL
GGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVI
SMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKR
TTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAF
YMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSM
KRSNRRKYGRCHFWFTTKSWKPSSEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSE
TRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEELGMVDLERKADKLQAQKSVDDGGSF
PKSFSKLPIQLESAVDTAKTSDVNSSVGKSTATLPLSFKEATLAKRFALKTRSQITKRKR
MSLVKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTFWNLGYWLCYINSTVN
PVCYALCNKTFRTTFKMLLLCQCDKKKRRKQQYQQRQSVIFHKRAPEQAL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50381646
n/a
NameBDBM50381646
Synonyms:CHEMBL2023749
TypeSmall organic molecule
Emp. Form.C27H33N2
Mol. Mass.385.5638
SMILESC[N+]1(CC2CC2)C2CCC1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2 |r,wD:11.13,TLB:0:1:11.10.28:8.7,THB:2:1:11.10.28:8.7,12:11:1:8.7,(5.68,2.81,;7.18,2.4,;7.94,3.74,;7.16,5.07,;7.16,6.61,;5.83,5.83,;8.23,1.57,;7.63,.23,;6.45,-.48,;7.44,.86,;9.28,.86,;10.26,.06,;11.04,-1.28,;12.58,-1.27,;12.97,.23,;13.36,1.72,;13.35,-2.61,;12.58,-3.94,;13.35,-5.27,;14.9,-5.27,;15.66,-3.92,;14.89,-2.59,;14.06,-.86,;15.15,-1.95,;16.63,-1.54,;17.02,-.05,;15.92,1.03,;14.44,.62,;10,1.6,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: