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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

NameCHEMBL320060
Molecular formulaC28H29N3O6
IUPAC name(E)-N-[(4aS,7aR)-9-methoxy-3,7a-dimethyl-7-oxo-1,2,4,5,6,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-3-(4-nitrophenyl)prop-2-enamide
Molecular weight503.555
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.2
Synonyms1N-[10-methoxy-4,13-dimethyl-14-oxo-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-17-yl]-4-(4-nitrophenyl)-(Z)-2-butenamide
BDBM50033643
Inchi KeyNCKYLAKJHDNXGI-WJLVKOQPSA-N
Inchi IDInChI=1S/C28H29N3O6/c1-26-22(32)12-13-28(29-23(33)11-6-17-4-8-19(9-5-17)31(34)35)21-16-18-7-10-20(36-3)25(37-26)24(18)27(26,28)14-15-30(21)2/h4-11,21H,12-16H2,1-3H3,(H,29,33)/b11-6+/t21?,26-,27?,28+/m0/s1
PubChem CID44337264
ChEMBLCHEMBL320060
IUPHARN/A
BindingDB50033643
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50104.4 nMPMID7693944BindingDB,ChEMBL

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