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GPCR

NameDelta-type opioid receptor
SpeciesHomo sapiens (Human)
GeneOPRD1
SynonymD-OR-1
DOR
opioid receptor
OP1
DOP
[ Show all ]
DiseaseCough
Overactive bladder disorder
Bladder disease
Moderate-to-severe pain
Diarrhea-predominant IBS
[ Show all ]
Length372
Amino acid sequenceMEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIDRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRKPCGRPDPSSFSRAREATARERVTACTPSDGPGGGAAA
UniProtP41143
Protein Data Bank4rwd, 4rwa, 4n6h
GPCR-HGmod modelP41143
3D structure modelThis structure is from PDB ID 4rwd.
BioLiPBL0303696,BL0303697, BL0265712, BL0265705,BL0265706,BL0265707,, BL0303699,BL0303701, BL0303698,BL0303700
Therapeutic Target DatabaseT58992
ChEMBLCHEMBL236
IUPHAR317
DrugBankBE0000420

Ligand

NameCHEMBL15032
Molecular formulaC42H49N5O7
IUPAC name(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
Molecular weight735.882
Hydrogen bond acceptor8
Hydrogen bond donor6
XlogP3.3
SynonymsN,N-Dibenzyl-Tyr-Gly-Gly-Phe-Leu-OH
Inchi KeyCFOIEAVNWPDREA-FSEITFBQSA-N
Inchi IDInChI=1S/C42H49N5O7/c1-29(2)22-36(42(53)54)46-40(51)35(23-30-12-6-3-7-13-30)45-39(50)26-43-38(49)25-44-41(52)37(24-31-18-20-34(48)21-19-31)47(27-32-14-8-4-9-15-32)28-33-16-10-5-11-17-33/h3-21,29,35-37,48H,22-28H2,1-2H3,(H,43,49)(H,44,52)(H,45,50)(H,46,51)(H,53,54)/t35-,36-,37-/m0/s1
PubChem CID44270104
ChEMBLCHEMBL15032
IUPHARN/A
BindingDBN/A
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
IC50 ratio0.8 -PMID3041000ChEMBL
IC50 ratio1.2 -PMID3041000ChEMBL
IC50 ratio2.5 -PMID3041000ChEMBL

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