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GPCR

NameMu-type opioid receptor
SpeciesBos taurus (Bovine)
GeneOPRM1
SynonymM-OR-1
MOR-1
DiseaseN/A for non-human GPCRs
Length401
Amino acid sequenceMDSGAVPTNASNCTDPFTHPSSCSPAPSPSSWVNFSHLEGNLSDPCGPNRTELGGSDRLCPSAGSPSMITAIIIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDLRTPRNAKIINICNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPILIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRIRQNTRDHPSTANTVDRTNHQLENLEAETTPLP
UniProtP79350
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3041
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL59840
Molecular formulaC16H20N4O2
IUPAC name(1S,9R)-1-(methoxymethyl)-9-methyl-2,3,4,5-tetrazatetracyclo[7.7.1.02,6.010,15]heptadeca-3,5,10(15),11,13-pentaen-12-ol
Molecular weight300.362
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.0
SynonymsBDBM50050486
1-methoxymethyl-9-methyl-(1S,9R)-2,3,4,5-tetraazatetracyclo[7.7.1.02,6.010,15]heptadeca-3,5,10(15),11,13-pentaen-12-ol
Inchi KeyKHRGJUMOPONGBN-HZPDHXFCSA-N
Inchi IDInChI=1S/C16H20N4O2/c1-15-6-5-14-17-18-19-20(14)16(9-15,10-22-2)8-11-3-4-12(21)7-13(11)15/h3-4,7,21H,5-6,8-10H2,1-2H3/t15-,16-/m1/s1
PubChem CID10851779
ChEMBLCHEMBL59840
IUPHARN/A
BindingDB50050486
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3800.0 nMPMID8642554BindingDB,ChEMBL

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