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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

NameCHEMBL611136
Molecular formulaC29H29N3O6
IUPAC name(E)-N-[(4R,4aS,7aR,12bR)-3-(cyclopropylmethyl)-9-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-3-(4-nitrophenyl)prop-2-enamide
Molecular weight515.566
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.8
Synonyms1N-[4-cyclopropylmethyl-10-hydroxy-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
BDBM50033641
3-Hydroxy-14-[(p-nitrocinnamoyl)amino]-17-(cyclopropylmethyl)-4,5alpha-epoxymorphinan-6-one
Inchi KeyUSUATCCCIDHRPH-DNIKMYEQSA-N
Inchi IDInChI=1S/C29H29N3O6/c33-21-9-6-19-15-23-29(30-24(35)10-5-17-3-7-20(8-4-17)32(36)37)12-11-22(34)27-28(29,25(19)26(21)38-27)13-14-31(23)16-18-1-2-18/h3-10,18,23,27,33H,1-2,11-16H2,(H,30,35)/b10-5+/t23-,27+,28+,29-/m1/s1
PubChem CID11849365
ChEMBLCHEMBL611136
IUPHARN/A
BindingDB50033641
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC500.87 nMPMID7693944BindingDB,ChEMBL

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