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GPCR

NameMuscarinic acetylcholine receptor M1
SpeciesHomo sapiens (Human)
GeneCHRM1
Synonymcholinergic receptor
cholinergic receptor, muscarinic 1
cholinergic receptor, muscarinic 1, CNS
Chrm-1
M1 receptor
[ Show all ]
DiseaseFunctional bowel syndrome; Irritable bowel syndrome
Glaucoma
Peptic ulcer
Parkinsonism; Extrapyramidal disorders secondary to neuroleptic drug therapy
Visceral spasms
[ Show all ]
Length460
Amino acid sequenceMNTSAPPAVSPNITVLAPGKGPWQVAFIGITTGLLSLATVTGNLLVLISFKVNTELKTVNNYFLLSLACADLIIGTFSMNLYTTYLLMGHWALGTLACDLWLALDYVASNASVMNLLLISFDRYFSVTRPLSYRAKRTPRRAALMIGLAWLVSFVLWAPAILFWQYLVGERTVLAGQCYIQFLSQPIITFGTAMAAFYLPVTVMCTLYWRIYRETENRARELAALQGSETPGKGGGSSSSSERSQPGAEGSPETPPGRCCRCCRAPRLLQAYSWKEEEEEDEGSMESLTSSEGEEPGSEVVIKMPMVDPEAQAPTKQPPRSSPNTVKRPTKKGRDRAGKGQKPRGKEQLAKRKTFSLVKEKKAARTLSAILLAFILTWTPYNIMVLVSTFCKDCVPETLWELGYWLCYVNSTINPMCYALCNKAFRDTFRLLLLCRWDKRRWRKIPKRPGSVHRTPSRQC
UniProtP11229
Protein Data Bank5cxv
GPCR-HGmod modelP11229
3D structure modelThis structure is from PDB ID 5cxv.
BioLiPBL0339262, BL0339261, BL0339263
Therapeutic Target DatabaseT28893
ChEMBLCHEMBL216
IUPHAR13
DrugBankBE0000092

Ligand

NameCHEMBL2058899
Molecular formulaC20H21F3N4O4S
IUPAC name(4-pyridin-4-ylpiperazin-1-yl)-[1-[2-(trifluoromethoxy)phenyl]sulfonylazetidin-3-yl]methanone
Molecular weight470.467
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP2.0
SynonymsSCHEMBL15102029
BDBM50387788
Inchi KeyABCISIOUDAPUAB-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H21F3N4O4S/c21-20(22,23)31-17-3-1-2-4-18(17)32(29,30)27-13-15(14-27)19(28)26-11-9-25(10-12-26)16-5-7-24-8-6-16/h1-8,15H,9-14H2
PubChem CID62707584
ChEMBLCHEMBL2058899
IUPHARN/A
BindingDB50387788
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Activity8.4 %PMID22749871ChEMBL
IC502500.0 nMPMID22749871BindingDB,ChEMBL
IC502511.89 nMPMID22749871BindingDB,ChEMBL

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