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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

NameCHEMBL3394753
Molecular formulaC35H51FN4O4
IUPAC name8-(cyclooctylmethyl)-3-[(2S)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight610.815
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP6.2
SynonymsBDBM50060893
Inchi KeyABBBAYMZEUIFIL-HKBQPEDESA-N
Inchi IDInChI=1S/C35H51FN4O4/c1-43-32-15-10-27(22-33(32)44-2)16-19-37-23-31(41)25-39-26-40(30-13-11-29(36)12-14-30)35(34(39)42)17-20-38(21-18-35)24-28-8-6-4-3-5-7-9-28/h10-15,22,28,31,37,41H,3-9,16-21,23-26H2,1-2H3/t31-/m0/s1
PubChem CID118726271
ChEMBLCHEMBL3394753
IUPHARN/A
BindingDB50060893
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50990.0 nMPMID25556095BindingDB,ChEMBL

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