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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

NameCHEMBL3814950
Molecular formulaC26H36N4O2
IUPAC name(3R)-7-hydroxy-N-[(2S)-3-methyl-1-(4-methyl-4-pyridin-3-ylpiperidin-1-yl)butan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Molecular weight436.6
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.5
SynonymsJ3.554.818A
(R)-7-Hydroxy-N-[(1S)-2-methyl-1-[[4-methyl-4-(3-pyridinyl)piperidino]methyl]propyl]-1,2,3,4-tetrahydroisoquinoline-3beta-carboxamide
Inchi KeyACGTWYAXONAROP-DNQXCXABSA-N
Inchi IDInChI=1S/C26H36N4O2/c1-18(2)24(17-30-11-8-26(3,9-12-30)21-5-4-10-27-16-21)29-25(32)23-14-19-6-7-22(31)13-20(19)15-28-23/h4-7,10,13,16,18,23-24,28,31H,8-9,11-12,14-15,17H2,1-3H3,(H,29,32)/t23-,24-/m1/s1
PubChem CID127052128
ChEMBLCHEMBL3814950
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ke49.2 nMPMID27364611ChEMBL

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