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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

NameCHEMBL149795
Molecular formulaC29H36N2O2
IUPAC name3-[[(2R)-4-benzyl-2-(hydroxymethyl)piperazin-1-yl]-(4-tert-butylphenyl)methyl]phenol
Molecular weight444.619
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP5.5
SynonymsBDBM50084134
3-[((R)-4-Benzyl-2-hydroxymethyl-piperazin-1-yl)-(4-tert-butyl-phenyl)-methyl]-phenol
3-[(4-tert-Butylphenyl)[(2R)-2-(hydroxymethyl)-4-benzylpiperazino]methyl]phenol
Inchi KeyANLPBQYTVZSEEV-HSLSYKTRSA-N
Inchi IDInChI=1S/C29H36N2O2/c1-29(2,3)25-14-12-23(13-15-25)28(24-10-7-11-27(33)18-24)31-17-16-30(20-26(31)21-32)19-22-8-5-4-6-9-22/h4-15,18,26,28,32-33H,16-17,19-21H2,1-3H3/t26-,28?/m1/s1
PubChem CID10503458
ChEMBLCHEMBL149795
IUPHARN/A
BindingDB50084134
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition36.0 %PMID10639279ChEMBL

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