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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

NameCHEMBL2402930
Molecular formulaC32H43N9O6
IUPAC name(5S,8S,14R)-14-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-8-benzyl-7,10,13-trioxo-2-piperidin-1-yl-1,3,6,9,12-pentazacyclopentadec-2-ene-5-carboxamide
Molecular weight649.753
Hydrogen bond acceptor8
Hydrogen bond donor8
XlogP-0.8
SynonymsN/A
Inchi KeyAUFPKYMBJJTQQY-ASDGIDEWSA-N
Inchi IDInChI=1S/C32H43N9O6/c33-23(15-21-9-11-22(42)12-10-21)29(45)40-26-18-37-32(41-13-5-2-6-14-41)36-17-25(28(34)44)39-31(47)24(16-20-7-3-1-4-8-20)38-27(43)19-35-30(26)46/h1,3-4,7-12,23-26,42H,2,5-6,13-19,33H2,(H2,34,44)(H,35,46)(H,36,37)(H,38,43)(H,39,47)(H,40,45)/t23-,24-,25-,26+/m0/s1
PubChem CID71761638
ChEMBLCHEMBL2402930
IUPHARN/A
BindingDBN/A
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
FC0.618 -PMID23822516ChEMBL
IC50398.0 nMPMID23822516ChEMBL

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