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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

NameCHEMBL132775
Molecular formulaC33H46N8O8
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]pentanediamide
Molecular weight682.779
Hydrogen bond acceptor9
Hydrogen bond donor9
XlogP-0.9
SynonymsBDBM50281545
(S)-2-{(S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoylamino}-pentanedioic acid diamide
Inchi KeyASYFQNODJNKUJZ-CQJMVLFOSA-N
Inchi IDInChI=1S/C33H46N8O8/c1-19(2)14-25(32(48)40-24(30(36)46)12-13-27(35)43)41-33(49)26(16-20-6-4-3-5-7-20)39-29(45)18-37-28(44)17-38-31(47)23(34)15-21-8-10-22(42)11-9-21/h3-11,19,23-26,42H,12-18,34H2,1-2H3,(H2,35,43)(H2,36,46)(H,37,44)(H,38,47)(H,39,45)(H,40,48)(H,41,49)/t23-,24-,25-,26-/m0/s1
PubChem CID44354004
ChEMBLCHEMBL132775
IUPHARN/A
BindingDB50281545
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
IC5075.0 nM, Bioorg. Med. Chem. Lett., (1993) 3:3:405BindingDB,ChEMBL

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