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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

NameCHEMBL385779
Molecular formulaC34H48N6O5
IUPAC name(2S)-2-amino-N-[4-[5-[3-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]propyl]-3-methyl-6-oxo-1H-pyrazin-2-yl]butyl]-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
Molecular weight620.795
Hydrogen bond acceptor8
Hydrogen bond donor7
XlogP2.5
SynonymsN-[3-[3-Oxo-5-[4-[(2,6-dimethyl-L-tyrosyl)amino]butyl]-6-methyl-3,4-dihydropyrazine-2-yl]propyl]-2,6-dimethyl-L-tyrosinamide
6-[4''-(H-Dmt)-aminobutyl]-3-[3''-(H-Dmt)-aminopropyl]-5-methyl-2(1H)-pyrazinone
BDBM50194488
Inchi KeyAIOLFDZVYRFPMH-VMPREFPWSA-N
Inchi IDInChI=1S/C34H48N6O5/c1-19-13-24(41)14-20(2)26(19)17-28(35)32(43)37-11-7-6-9-30-23(5)39-31(34(45)40-30)10-8-12-38-33(44)29(36)18-27-21(3)15-25(42)16-22(27)4/h13-16,28-29,41-42H,6-12,17-18,35-36H2,1-5H3,(H,37,43)(H,38,44)(H,40,45)/t28-,29-/m0/s1
PubChem CID44419723
ChEMBLCHEMBL385779
IUPHARN/A
BindingDB50194488
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
IC504.93 nMPMID16949282BindingDB,ChEMBL

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