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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

NameCHEMBL466271
Molecular formulaC32H36BrIN4O6
IUPAC nameethyl 4-[[(2S)-1-[[(3S)-1-(1,3-benzodioxol-5-ylmethyl)-1-methylpyrrolidin-1-ium-3-yl]amino]-3-(4-bromophenyl)-1-oxopropan-2-yl]carbamoylamino]benzoate;iodide
Molecular weight779.47
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyABPAUEWHUKZUPD-UYCLPYRZSA-N
Inchi IDInChI=1S/C32H35BrN4O6.HI/c1-3-41-31(39)23-7-11-25(12-8-23)35-32(40)36-27(16-21-4-9-24(33)10-5-21)30(38)34-26-14-15-37(2,19-26)18-22-6-13-28-29(17-22)43-20-42-28;/h4-13,17,26-27H,3,14-16,18-20H2,1-2H3,(H2-,34,35,36,38,39,40);1H/t26-,27-,37?;/m0./s1
PubChem CID45266389
ChEMBLCHEMBL466271
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
IC5031.62 nMPMID18818072ChEMBL

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