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GPCR

NameMu-type opioid receptor
SpeciesHomo sapiens (Human)
GeneOPRM1
SynonymhMOP
M-OR-1
MOP
opioid receptor, mu 1
opioid receptor
[ Show all ]
DiseaseDiarrhea
Inflammatory disease
Pain
Major depressive disorder
Migraine
[ Show all ]
Length400
Amino acid sequenceMDSSAAPTNASNCTDALAYSSCSPAPSPGSWVNLSHLDGNLSDPCGPNRTDLGGRDSLCPPTGSPSMITAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIINVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALVTIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSNIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETAPLP
UniProtP35372
Protein Data BankN/A
GPCR-HGmod modelP35372
3D structure modelThis predicted structure model is from GPCR-EXP P35372.
BioLiPN/A
Therapeutic Target DatabaseT47768
ChEMBLCHEMBL233
IUPHAR319
DrugBankBE0000770

Ligand

NameCHEMBL125742
Molecular formulaC23H31N3O2
IUPAC nameN,N-diethyl-4-[(3-methoxyphenyl)-piperazin-1-ylmethyl]benzamide
Molecular weight381.52
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.0
SynonymsBDBM50092671
N,N-Diethyl-4-(alpha-piperazino-3-methoxybenzyl)benzamide
N,N-Diethyl-4-[(3-methoxy-phenyl)-piperazin-1-yl-methyl]-benzamide
Inchi KeyABHGGPDVTGXLFS-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H31N3O2/c1-4-25(5-2)23(27)19-11-9-18(10-12-19)22(26-15-13-24-14-16-26)20-7-6-8-21(17-20)28-3/h6-12,17,22,24H,4-5,13-16H2,1-3H3
PubChem CID11794240
ChEMBLCHEMBL125742
IUPHARN/A
BindingDB50092671
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC505290.0 nMPMID11052793BindingDB,ChEMBL

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