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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

NameCHEMBL1202234
Molecular formulaC29H31BrN2O2
IUPAC name(4aR,5aS,8aS,13aS,15aS,15bR)-6-(2-phenylethyl)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one;bromide
Molecular weight519.483
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogPNone
SynonymsN-Phenylethyl Strychnine Bromide
Inchi KeyBLDWBPZYUVTXRR-DBYHAXBSSA-M
Inchi IDInChI=1S/C29H31N2O2.BrH/c32-26-17-24-27-21-16-25-29(22-8-4-5-9-23(22)30(26)28(27)29)12-14-31(25,18-20(21)11-15-33-24)13-10-19-6-2-1-3-7-19;/h1-9,11,21,24-25,27-28H,10,12-18H2;1H/q+1;/p-1/t21-,24-,25-,27-,28-,29+,31?;/m0./s1
PubChem CID10529938
ChEMBLCHEMBL1202234
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
Affinity4.9 -PMID9986715ChEMBL
Cooperativity>0.2 -PMID9986715ChEMBL
Cooperativity1.19 -PMID9986715ChEMBL

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