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GPCR

NameMu-type opioid receptor
SpeciesMus musculus (Mouse)
GeneOprm1
Synonymopioid receptor, mu 1
opioid receptor
OP3
Mu receptor
MOR-1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length398
Amino acid sequenceMDSSAGPGNISDCSDPLAPASCSPAPGSWLNLSHVDGNQSDPCGPNRTGLGGSHSLCPQTGSPSMVTAITIMALYSIVCVVGLFGNFLVMYVIVRYTKMKTATNIYIFNLALADALATSTLPFQSVNYLMGTWPFGNILCKIVISIDYYNMFTSIFTLCTMSVDRYIAVCHPVKALDFRTPRNAKIVNVCNWILSSAIGLPVMFMATTKYRQGSIDCTLTFSHPTWYWENLLKICVFIFAFIMPVLIITVCYGLMILRLKSVRMLSGSKEKDRNLRRITRMVLVVVAVFIVCWTPIHIYVIIKALITIPETTFQTVSWHFCIALGYTNSCLNPVLYAFLDENFKRCFREFCIPTSSTIEQQNSARIRQNTREHPSTANTVDRTNHQLENLEAETAPLP
UniProtP42866
Protein Data Bank4dkl, 5c1m, 6dde, 6ddf
GPCR-HGmod modelN/A
3D structure modelThis structure is from PDB ID 4dkl.
BioLiPBL0416752, BL0416751, BL0321492, BL0224753, BL0224754, BL0224755,BL0224756, BL0321491
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2858
IUPHAR319
DrugBankN/A

Ligand

NameCHEMBL610549
Molecular formulaC35H47N5O12S
IUPAC name5-[[3-[1-[[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-methoxy-1,4-dioxobutan-2-yl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-2-amino-5-oxopentanoic acid
Molecular weight761.844
Hydrogen bond acceptor15
Hydrogen bond donor8
XlogP-7.1
Synonyms4-[[17-(Cyclopropylmethyl)-4,5alpha-epoxy-3,14-dihydroxymorphinan-6beta-yl]amino]-3-[[2-[(1,5-dioxo-4-amino-5-hydroxypentyl)amino]-3-[(2-oxo-2-hydroxyethyl)amino]-3-oxopropyl]thio]-4-oxobutanoic acid methyl ester
Inchi KeyCMXFDERRQSFBJM-DUFLPTJOSA-N
Inchi IDInChI=1S/C35H47N5O12S/c1-51-27(45)13-23(53-16-21(31(46)37-14-26(43)44)38-25(42)7-5-19(36)33(48)49)32(47)39-20-8-9-35(50)24-12-18-4-6-22(41)29-28(18)34(35,30(20)52-29)10-11-40(24)15-17-2-3-17/h4,6,17,19-21,23-24,30,41,50H,2-3,5,7-16,36H2,1H3,(H,37,46)(H,38,42)(H,39,47)(H,43,44)(H,48,49)/t19?,20-,21?,23?,24-,30+,34+,35-/m1/s1
PubChem CID46877668
ChEMBLCHEMBL610549
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50280.0 nMPMID8246236ChEMBL

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