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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

NameCHEMBL307554
Molecular formulaC21H22F2N2O2
IUPAC name(2R)-2-[(1R)-3,3-difluorocyclopentyl]-N-(2,3-dihydro-1H-isoindol-5-yl)-2-hydroxy-2-phenylacetamide
Molecular weight372.416
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP2.7
SynonymsBDBM50129386
(R)-2-((R)-3,3-Difluoro-cyclopentyl)-N-(2,3-dihydro-1H-isoindol-5-yl)-2-hydroxy-2-phenyl-acetamide
Inchi KeyAMOUHXSQTRSDEO-UTKZUKDTSA-N
Inchi IDInChI=1S/C21H22F2N2O2/c22-20(23)9-8-17(11-20)21(27,16-4-2-1-3-5-16)19(26)25-18-7-6-14-12-24-13-15(14)10-18/h1-7,10,17,24,27H,8-9,11-13H2,(H,25,26)/t17-,21+/m1/s1
PubChem CID44309108
ChEMBLCHEMBL307554
IUPHARN/A
BindingDB50129386
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki630.0 nMPMID12798328BindingDB,ChEMBL

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