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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

NameDPDPE
Molecular formulaC30H39N5O7S2
IUPAC name(4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid
Molecular weight645.79
Hydrogen bond acceptor10
Hydrogen bond donor7
XlogP-0.6
Synonymsc[D-Pen(2,5)]-enkephalin
Enkephalin, [Tyrosyl-2,6-3H(N)]- (2-D-Penicillamine, 5-D-Penicillamine)
Pen(2),pen(5)-enkephalin
[D-Pen2,5]-Enkephalin hydrate
(D-Pen(2),D-pen(5))enkephalin
[ Show all ]
Inchi KeyMCMMCRYPQBNCPH-WMIMKTLMSA-N
Inchi IDInChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1
PubChem CID104787
ChEMBLCHEMBL31421
IUPHAR1608
BindingDB21008
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
EC500.12 nMPMID27096047BindingDB
EC500.12 nMPMID27096047ChEMBL
EC501.6 nMPMID16686530, PMID17927164, PMID18266313BindingDB
EC508.0 nMPMID26048798BindingDB
EC508.01 nMPMID26048798ChEMBL
EC5013.2 nMPMID26525865ChEMBL
EC5016.98 nMPMID26944625ChEMBL
EC5017.0 nMPMID26944625BindingDB
EC5021.0 nMPMID17350835BindingDB,ChEMBL
EC5026.92 nMPMID26785295ChEMBL
EC5027.0 nMPMID26785295BindingDB
Emax100.0 %PMID26048798ChEMBL
Emax216.0 %PMID27096047ChEMBL
IC501.3 nMPMID27876250BindingDB,ChEMBL
Kd0.45 nMPMID18266313BindingDB
Kd0.5 nMPMID16686530, PMID17927164BindingDB
Ki0.3 nMPMID9686407BindingDB
Ki0.87 nMPMID7932177BindingDB
Ki1.58489 nMPMID9686407, PMID6310598IUPHAR
Ki1.6 nMPMID17539621BindingDB
Ki1.7 nMPMID9686407BindingDB
Ki3.2 nMPMID17350835BindingDB,ChEMBL
Ki14.0 nMPMID8114680BindingDB
Ki14.5 nMPMID11961071BindingDB

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