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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

NameICI 174,864
Molecular formulaC38H53N5O7
IUPAC name(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[bis(prop-2-enyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
Molecular weight691.87
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP2.8
Synonyms(2S,5S,14S)-15-allyl-5-benzyl-14-(4-hydroxybenzyl)-2-isobutyl-8,8,11,11-tetramethyl-4,7,10,13-tetraoxo-3,6,9,12,15-pentaazaoctadec-17-en-1-oic acid
Ici 174,865
N,N-Diallyl-tyr-aib-aib-phe-leu-OH
AKOS024458657
L-Leucine, N-(N-(N-(N-(N,N-di-2-propenyl-L-tyrosyl)-2-methylalanyl)-2-methylalanyl)-L-phenylalanyl)-
[ Show all ]
Inchi KeyXUWLAGNFLUARAN-CHQNGUEUSA-N
Inchi IDInChI=1S/C38H53N5O7/c1-9-20-43(21-10-2)31(24-27-16-18-28(44)19-17-27)33(46)41-38(7,8)36(50)42-37(5,6)35(49)40-29(23-26-14-12-11-13-15-26)32(45)39-30(34(47)48)22-25(3)4/h9-19,25,29-31,44H,1-2,20-24H2,3-8H3,(H,39,45)(H,40,49)(H,41,46)(H,42,50)(H,47,48)/t29-,30-,31-/m0/s1
PubChem CID44149909
ChEMBLCHEMBL47545
IUPHARN/A
BindingDB50006946
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
IC50 ratio0.5 -PMID3041000ChEMBL
IC50 ratio0.6 -PMID3041000, PMID2160538ChEMBL
Ke<1667.0 nMPMID2160538, PMID1648136ChEMBL
Ki<1000.0 nMPMID2160538, PMID1333013, PMID1648136BindingDB,ChEMBL
Ratio<29.0 -PMID1333013ChEMBL

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