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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

NameCHEMBL132776
Molecular formulaC31H43N7O8
IUPAC name(2S)-N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
Molecular weight641.726
Hydrogen bond acceptor9
Hydrogen bond donor9
XlogP-0.4
SynonymsBDBM50281550
(S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid ((S)-1-carbamoyl-2-hydroxy-ethyl)-amide
Inchi KeyAAKKFHPDZYQOJN-QORCZRPOSA-N
Inchi IDInChI=1S/C31H43N7O8/c1-18(2)12-23(30(45)38-25(17-39)28(33)43)37-31(46)24(14-19-6-4-3-5-7-19)36-27(42)16-34-26(41)15-35-29(44)22(32)13-20-8-10-21(40)11-9-20/h3-11,18,22-25,39-40H,12-17,32H2,1-2H3,(H2,33,43)(H,34,41)(H,35,44)(H,36,42)(H,37,46)(H,38,45)/t22-,23-,24-,25-/m0/s1
PubChem CID44354005
ChEMBLCHEMBL132776
IUPHARN/A
BindingDB50281550
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
IC5065.0 nM, Bioorg. Med. Chem. Lett., (1993) 3:3:405BindingDB,ChEMBL

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