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GPCR

NameMu-type opioid receptor
SpeciesCavia porcellus (Guinea pig)
GeneOPRM1
SynonymM-OR-1
MOR-1
DiseaseN/A for non-human GPCRs
Length98
Amino acid sequenceYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKTVNVCNWI
UniProtP97266
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4354
IUPHARN/A
DrugBankN/A

Ligand

NameMM3A6S
Molecular formulaC20H23NO7S
IUPAC name[(4R,4aR,7S,7aR,12bS)-9-acetyloxy-3,3-dimethyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-yl] sulfate
Molecular weight421.464
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP0.5
SynonymsCHEMBL379928
BDBM50189250
D02YXR
Inchi KeyQNHZSCHPVZZALI-BKRJIHRRSA-N
Inchi IDInChI=1S/C20H23NO7S/c1-11(22)26-15-6-4-12-10-14-13-5-7-16(28-29(23,24)25)19-20(13,8-9-21(14,2)3)17(12)18(15)27-19/h4-7,13-14,16,19H,8-10H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1
PubChem CID10454860
ChEMBLCHEMBL379928
IUPHARN/A
BindingDB50189250
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki34.0 nMPMID16777416BindingDB
Ki34.2 nMPMID16777416ChEMBL

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