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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

NameLeu-enkephalin
Molecular formulaC28H37N5O7
IUPAC name(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate
Molecular weight555.632
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP-0.5
SynonymsN/A
Inchi KeyURLZCHNOLZSCCA-VABKMULXSA-N
Inchi IDInChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
PubChem CID124081685
ChEMBLCHEMBL8234
IUPHARN/A
BindingDB50001465
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
IC50103.0 nMPMID11212102BindingDB,ChEMBL
IC50246.0 nMPMID20218625, PMID6296388, PMID27676089, PMID1331451, PMID23822516BindingDB,ChEMBL
Ke1.53 nMPMID6296388ChEMBL
Ki9.4 nMPMID2444704BindingDB
Ki9.43 nMPMID11121615, PMID2444704BindingDB,ChEMBL
Ki21.7 nMPMID9686407BindingDB
Ki380.0 nMPMID2879914BindingDB,ChEMBL
Relative potency1.0 -PMID1331451, PMID8164255ChEMBL

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