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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

NameCHEMBL3759541
Molecular formulaC35H36N4O4
IUPAC name(3R)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-[2-oxo-2-(N-phenylanilino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
Molecular weight576.697
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP4.7
SynonymsBDBM50142703
Inchi KeyAAUPKJITIZNIAU-AJQTZOPKSA-N
Inchi IDInChI=1S/C35H36N4O4/c1-23-17-29(40)18-24(2)30(23)20-31(36)35(43)38-22-26-12-10-9-11-25(26)19-32(38)34(42)37-21-33(41)39(27-13-5-3-6-14-27)28-15-7-4-8-16-28/h3-18,31-32,40H,19-22,36H2,1-2H3,(H,37,42)/t31-,32+/m0/s1
PubChem CID127029282
ChEMBLCHEMBL3759541
IUPHARN/A
BindingDB50142703
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC504.8 nMPMID26656913BindingDB,ChEMBL
Ki1.7 nMPMID26656913BindingDB
Ki1.71 nMPMID26656913ChEMBL

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