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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

NameSCHEMBL18211801
Molecular formulaC27H26FN3O3
IUPAC name1-fluoro-N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]naphthalene-2-carboxamide
Molecular weight459.521
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.8
SynonymsUS9708302, 16
BDBM261730
1-fluoro-N- ((3RS,4SR)-3- hydroxytetrahydro- 2H-pyran-4-yl)-4-(4- (1-methyl-1H- pyrazol-4-yl)benzyl)- 2-naphthamide
Inchi KeyAEEAFUBVHJXXNM-DQEYMECFSA-N
Inchi IDInChI=1S/C27H26FN3O3/c1-31-15-20(14-29-31)18-8-6-17(7-9-18)12-19-13-23(26(28)22-5-3-2-4-21(19)22)27(33)30-24-10-11-34-16-25(24)32/h2-9,13-15,24-25,32H,10-12,16H2,1H3,(H,30,33)/t24-,25-/m0/s1
PubChem CID122675092
ChEMBLN/A
IUPHARN/A
BindingDB261730
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5011.0 nMN/ABindingDB

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