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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

NameCHEMBL3600817
Molecular formulaC30H34FN3O2
IUPAC name4-(4-fluorophenyl)-N-[2-[4-[[4-(2-oxopropylamino)piperidin-1-yl]methyl]phenyl]ethyl]benzamide
Molecular weight487.619
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50107737
Inchi KeyARFXECJNWZZFLK-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H34FN3O2/c1-22(35)20-33-29-15-18-34(19-16-29)21-24-4-2-23(3-5-24)14-17-32-30(36)27-8-6-25(7-9-27)26-10-12-28(31)13-11-26/h2-13,29,33H,14-21H2,1H3,(H,32,36)
PubChem CID122184563
ChEMBLCHEMBL3600817
IUPHARN/A
BindingDB50107737
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC502520.0 nMPMID26112443BindingDB,ChEMBL

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