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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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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

NameCHEMBL2371782
Molecular formulaC24H30N4O5
IUPAC name(3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
Molecular weight454.527
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP0.4
SynonymsN/A
Inchi KeyAFNRQBXHTFGQNH-ACRUOGEOSA-N
Inchi IDInChI=1S/C24H30N4O5/c1-13-7-17(30)8-14(2)18(13)10-19(25)24(33)28-11-16-6-4-3-5-15(16)9-21(28)23(32)27-20(12-29)22(26)31/h3-8,19-21,29-30H,9-12,25H2,1-2H3,(H2,26,31)(H,27,32)/t19-,20-,21-/m0/s1
PubChem CID11363026
ChEMBLCHEMBL2371782
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nMPMID15267245ChEMBL

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