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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

NameCHEMBL132164
Molecular formulaC41H59N9O9
IUPAC name(2S,5S,14R)-14-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-2-benzyl-3,8,15-trioxo-1,4,9-triazacyclopentadecane-5-carboxamide
Molecular weight821.977
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP1.2
Synonyms14-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-2-benzyl-3,8,15-trioxo-1,4,9triaza-cyclopentadecane-5-carboxylic acid {1-[1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-2-methyl-propyl}-amide
BDBM50001463
Inchi KeyATPLUIZXQQGNRT-BLZAPJNSSA-N
Inchi IDInChI=1S/C41H59N9O9/c1-23(2)34(40(58)45-22-32(43)52)50-41(59)35(24(3)4)49-38(56)30-17-18-33(53)44-19-9-8-12-29(46-36(54)28(42)20-26-13-15-27(51)16-14-26)37(55)48-31(39(57)47-30)21-25-10-6-5-7-11-25/h5-7,10-11,13-16,23-24,28-31,34-35,51H,8-9,12,17-22,42H2,1-4H3,(H2,43,52)(H,44,53)(H,45,58)(H,46,54)(H,47,57)(H,48,55)(H,49,56)(H,50,59)/t28-,29+,30-,31-,34-,35-/m0/s1
PubChem CID10395647
ChEMBLCHEMBL132164
IUPHARN/A
BindingDB50001463
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
Ki17.5 nMPMID1331451BindingDB,ChEMBL
Relative potency0.539 -PMID1331451ChEMBL

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