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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

NameAprofene
Molecular formulaC21H27NO2
IUPAC name2-(diethylamino)ethyl 2,2-diphenylpropanoate
Molecular weight325.452
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.8
Synonyms2,2-diphenylpropanoic acid N,N-diethylaminoethyl ester
4-09-00-02535 (Beilstein Handbook Reference)
Aprofen
Aprophenum
CHEMBL26505
[ Show all ]
Inchi KeyDIDYGLSKVUKRRP-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H27NO2/c1-4-22(5-2)16-17-24-20(23)21(3,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15H,4-5,16-17H2,1-3H3
PubChem CID71128
ChEMBLCHEMBL26505
IUPHARN/A
BindingDB50005685
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki2.1 nMPMID1560441BindingDB,ChEMBL
Ki15.1 nMPMID23523385ChEMBL
Ki26.5 nMPMID23523385ChEMBL

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