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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

NameLeu-enkephalin
Molecular formulaC28H37N5O7
IUPAC name(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate
Molecular weight555.632
Hydrogen bond acceptor7
Hydrogen bond donor6
XlogP-0.5
SynonymsN/A
Inchi KeyURLZCHNOLZSCCA-VABKMULXSA-N
Inchi IDInChI=1S/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)/t21-,22-,23-/m0/s1
PubChem CID124081685
ChEMBLCHEMBL8234
IUPHARN/A
BindingDB50001465
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
Ki0.7 nMPMID12747782ChEMBL
Ki2.1 nMPMID9686407BindingDB
Ki2.5 nMPMID2444704, PMID11212101BindingDB
Ki2.53 nMPMID2444704, PMID11212101ChEMBL
Ki4.0 nMPMID8114680BindingDB
Ki6.0 nMPMID2879914BindingDB,ChEMBL
Ki31.0 nMPMID12372527BindingDB,ChEMBL
log(activity)0.25 -PMID25901762ChEMBL
log(activity)0.28 -PMID25901762ChEMBL
log(activity)0.94 -PMID25901762ChEMBL
log(activity)2.8 -PMID25901762ChEMBL
pKA6.6 -PMID25901762ChEMBL
pKA6.7 -PMID25901762ChEMBL
pKA7.9 -PMID25901762ChEMBL
pKA9.13 -PMID25901762ChEMBL

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