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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

NameCHEMBL93131
Molecular formulaC20H23BrN2O2
IUPAC name(2S)-2-amino-1-(7-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-hydroxy-2,6-dimethylphenyl)propan-1-one
Molecular weight403.32
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP3.4
SynonymsBDBM50218554
(2S)-1-(7-Bromo-1,2,3,4-tetrahydroisoquinoline-2-yl)-2-amino-3-(2,6-dimethyl-4-hydroxyphenyl)-1-propanone
Inchi KeyAODUHUQHBSDMHI-IBGZPJMESA-N
Inchi IDInChI=1S/C20H23BrN2O2/c1-12-7-17(24)8-13(2)18(12)10-19(22)20(25)23-6-5-14-3-4-16(21)9-15(14)11-23/h3-4,7-9,19,24H,5-6,10-11,22H2,1-2H3/t19-/m0/s1
PubChem CID44325588
ChEMBLCHEMBL93131
IUPHARN/A
BindingDB50218554
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki18.0 nMPMID11133082BindingDB
Ki18.2 -PMID11133082ChEMBL

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