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GPCR

NameMuscarinic acetylcholine receptor DM1
SpeciesDrosophila melanogaster (Fruit fly)
GenemAChR-A
SynonymN/A
DiseaseN/A for non-human GPCRs
Length805
Amino acid sequenceMEPVMSLALAAHGPPSILEPLFKTVTTSTTTTTTTTTSTTTTTASPAGYSPGYPGTTLLTALFENLTSTAASGLYDPYSGMYGNQTNGTIGFETKGPRYSLASMVVMGFVAAILSTVTVAGNVMVMISFKIDKQLQTISNYFLFSLAIADFAIGAISMPLFAVTTILGYWPLGPIVCDTWLALDYLASNASVLNLLIISFDRYFSVTRPLTYRAKRTTNRAAVMIGAAWGISLLLWPPWIYSWPYIEGKRTVPKDECYIQFIETNQYITFGTALAAFYFPVTIMCFLYWRIWRETKKRQKDLPNLQAGKKDSSKRSNSSDENTVVNHASGGLLAFAQVGGNDHDTWRRPRSESSPDAESVYMTNMVIDSGYHGMHSRKSSIKSTNTIKKSYTCFGSIKEWCIAWWHSGREDSDDFAYEQEEPSDLGYATPVTIETPLQSSVSRCTSMNVMRDNYSMGGSVSGVRPPSILLSDVSPTPLPRPPLASISQLQEMSAVTASTTANVNTSGNGNGAINNNNNASHNGNGAVNGNGAGNGSGIGLGTTGNATHRDSRTLPVINRINSRSVSQDSVYTILIRLPSDGASSNAANGGGGGPGAGAAASASLSMQGDCAPSIKMIHEDGPTTTAAAAPLASAAATRRPLPSRDSEFSLPLGRRMSHAQHDARLLNAKVIPKQLGKAGGGAAGGGVGGAHALMNARNAAKKKKKSQEKRQESKAAKTLSAILLSFIITWTPYNILVLIKPLTTCSDCIPTELWDFFYALCYINSTINPMCYALCNATFRRTYVRILTCKWHTRNREGMVRGVYN
UniProtP16395
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2366467
IUPHARN/A
DrugBankN/A

Ligand

NameChlorpyrifos oxon
Molecular formulaC9H11Cl3NO4P
IUPAC namediethyl (3,5,6-trichloropyridin-2-yl) phosphate
Molecular weight334.514
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.5
SynonymsDiethyl-2,5,6-trichloro-2-pyridinol
Dursban oxygen analog
NCGC00168295-02
PHOSPHORIC ACID, DIETHYL 3,5,6-TRICHLORO-2-PYRIDYL ESTER
5598-15-2
[ Show all ]
Inchi KeyOTMOUPHCTWPNSL-UHFFFAOYSA-N
Inchi IDInChI=1S/C9H11Cl3NO4P/c1-3-15-18(14,16-4-2)17-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
PubChem CID21804
ChEMBLCHEMBL444970
IUPHARN/A
BindingDB50247086
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition17.0 %PMID17319687ChEMBL
Inhibition29.0 %PMID17319687ChEMBL
Ki<100000.0 nMPMID17319687ChEMBL

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