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GPCR

NameMu-type opioid receptor
SpeciesRattus norvegicus (Rat)
GeneOprm1
SynonymOpioid receptor B
opioid receptor
OP3
mu receptor
MOR-1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length398
Amino acid sequenceMDSSTGPGNTSDCSDPLAQASCSPAPGSWLNLSHVDGNQSDPCGLNRTGLGGNDSLCPQTGSPSMVTAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGTILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIVNVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSTRVRQNTREHPSTANTVDRTNHQLENLEAETAPLP
UniProtP33535
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL270
IUPHAR319
DrugBankN/A

Ligand

NameCHEMBL323024
Molecular formulaC29H38N6O6
IUPAC name(2S,5S,13R)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-[(2-methylphenyl)methyl]-3,8,14-trioxo-1,4,9-triazacyclotetradecane-5-carboxamide
Molecular weight566.659
Hydrogen bond acceptor7
Hydrogen bond donor7
XlogP0.4
Synonyms13-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2-(2-methyl-benzyl)-3,8,14-trioxo-1,4,9triaza-cyclotetradecane-5-carboxylic acid amide
BDBM50007330
Inchi KeyASBSMCWBIMOGPZ-XQUALCHDSA-N
Inchi IDInChI=1S/C29H38N6O6/c1-17-5-2-3-6-19(17)16-24-29(41)33-22(26(31)38)12-13-25(37)32-14-4-7-23(28(40)35-24)34-27(39)21(30)15-18-8-10-20(36)11-9-18/h2-3,5-6,8-11,21-24,36H,4,7,12-16,30H2,1H3,(H2,31,38)(H,32,37)(H,33,41)(H,34,39)(H,35,40)/t21-,22-,23+,24-/m0/s1
PubChem CID15088044
ChEMBLCHEMBL323024
IUPHARN/A
BindingDB50007330
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
Ki1.92 nMPMID1656045BindingDB,ChEMBL
Relative potency4.91 -PMID1656045ChEMBL

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