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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

NameCHEMBL307133
Molecular formulaC29H39N5O5
IUPAC name(3R,6S,9S)-9-(4-aminobutyl)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-6-benzyl-3-propan-2-yl-1,4,7-triazonane-2,5,8-trione
Molecular weight537.661
Hydrogen bond acceptor7
Hydrogen bond donor5
XlogP2.2
SynonymsBDBM50108487
(3R,6S,9S)-9-(4-Amino-butyl)-1-[(S)-2-amino-3-(4-hydroxy-phenyl)-propionyl]-6-benzyl-3-isopropyl-[1,4,7]triazonane-2,5,8-trione
Inchi KeyATWURJJJKREKHL-OJJQZRKESA-N
Inchi IDInChI=1S/C29H39N5O5/c1-18(2)25-29(39)34(28(38)22(31)16-20-11-13-21(35)14-12-20)24(10-6-7-15-30)27(37)32-23(26(36)33-25)17-19-8-4-3-5-9-19/h3-5,8-9,11-14,18,22-25,35H,6-7,10,15-17,30-31H2,1-2H3,(H,32,37)(H,33,36)/t22-,23-,24-,25+/m0/s1
PubChem CID44308087
ChEMBLCHEMBL307133
IUPHARN/A
BindingDB50108487
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC500.2 nMPMID11755357ChEMBL
IC500.2 nMPMID11755357BindingDB

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