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GPCR

NameMu-type opioid receptor
SpeciesRattus norvegicus (Rat)
GeneOprm1
SynonymOpioid receptor B
opioid receptor
OP3
mu receptor
MOR-1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length398
Amino acid sequenceMDSSTGPGNTSDCSDPLAQASCSPAPGSWLNLSHVDGNQSDPCGLNRTGLGGNDSLCPQTGSPSMVTAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIVNVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRVRQNTREHPSTANTVDRTNHQLENLEAETAPLP
UniProtP33535
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL270
IUPHAR319
DrugBankN/A

Ligand

NameCHEMBL278889
Molecular formulaC33H38N6O6
IUPAC name(2S)-2-amino-3-(4-hydroxyphenyl)-N-[(3R,6R,14S)-3-(naphthalen-2-ylmethyl)-2,5,10,13-tetraoxo-1,4,9,12-tetrazabicyclo[12.3.0]heptadecan-6-yl]propanamide
Molecular weight614.703
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP1.8
Synonyms(S)-2-Amino-3-(4-hydroxy-phenyl)-N-((5R,8R,15aS)-5-naphthalen-2-ylmethyl-4,7,12,15-tetraoxo-tetradecahydro-3a,6,11,14-tetraaza-cyclopentacyclotetradecen-8-yl)-propionamide
BDBM50041149
Inchi KeyAKLNDWRVJOAYFT-HFLBTKGNSA-N
Inchi IDInChI=1S/C33H38N6O6/c34-25(17-20-8-11-24(40)12-9-20)30(42)37-26-13-14-35-29(41)19-36-32(44)28-6-3-15-39(28)33(45)27(38-31(26)43)18-21-7-10-22-4-1-2-5-23(22)16-21/h1-2,4-5,7-12,16,25-28,40H,3,6,13-15,17-19,34H2,(H,35,41)(H,36,44)(H,37,42)(H,38,43)/t25-,26+,27+,28-/m0/s1
PubChem CID44269828
ChEMBLCHEMBL278889
IUPHARN/A
BindingDB50041149
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki6.4 nMPMID8164255BindingDB
Ki6.41 nMPMID8164255ChEMBL
Relative potency1.47 -PMID8164255ChEMBL

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