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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

NameCHEMBL199111
Molecular formulaC24H31N3O5S
IUPAC nameN-[(1S)-2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-phenylethyl]-N-methyl-6-(methylsulfamoyl)-3,4-dihydro-2H-chromene-2-carboxamide
Molecular weight473.588
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP1.9
SynonymsBDBM50174966
6-Methylsulfamoyl-chroman-2-carboxylic acid [(S)-2-((S)-3-hydroxy-pyrrolidin-1-yl)-1-phenyl-ethyl]-methyl-amide
Inchi KeyACGXEHCYMVMMDU-ZPVUCFGCSA-N
Inchi IDInChI=1S/C24H31N3O5S/c1-25-33(30,31)20-9-11-22-18(14-20)8-10-23(32-22)24(29)26(2)21(17-6-4-3-5-7-17)16-27-13-12-19(28)15-27/h3-7,9,11,14,19,21,23,25,28H,8,10,12-13,15-16H2,1-2H3/t19-,21+,23?/m0/s1
PubChem CID44405161
ChEMBLCHEMBL199111
IUPHARN/A
BindingDB50174966
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<5000.0 nMPMID16203140BindingDB,ChEMBL

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