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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

NameNaltrexone analogue
Molecular formulaC24H27NO5
IUPAC name(12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3'-methylidenespiro[2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,5'-oxolane]-2'-one
Molecular weight409.482
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP0.7
Synonyms4,5alpha-Epoxy-3,6alpha, 14-trihydroxy-6beta-(2-carboxyallyl)-17-methylmorphinnan gama-lactone
BDBM50013386
4-cyclopropylmethyl-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-14-yl lactone
4,5alpha-Epoxy-3,6alpha, 14-trihydroxy-6beta-(2-carboxyallyl)-17-(cyclopropylmethyl) morphinnan gama-lactone
Inchi KeyNSWUMSODAMAGRB-XGIRQVKWSA-N
Inchi IDInChI=1S/C24H27NO5/c1-13-11-22(30-20(13)27)6-7-24(28)17-10-15-4-5-16(26)19-18(15)23(24,21(22)29-19)8-9-25(17)12-14-2-3-14/h4-5,14,17,21,26,28H,1-3,6-12H2/t17?,21?,22?,23-,24?/m0/s1
PubChem CID44292859
ChEMBLN/A
IUPHARN/A
BindingDB50013386
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC501.8 nMPMID2153826BindingDB

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