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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

NameBiphalin
Molecular formulaC46H56N10O10
IUPAC name(2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-[2-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
Molecular weight909.014
Hydrogen bond acceptor12
Hydrogen bond donor12
XlogP1.4
SynonymsLS-187519
83916-01-2
D-ENK
(2S)-2-amino-N-[(1R)-1-[({[(1S)-1-{N''-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanoyl]hydrazinecarbonyl}-2-phenylethyl]carbamoyl}methyl)carbamoyl]ethyl]-3-(4-hydroxyphenyl)propanamide
Dala(2)
[ Show all ]
Inchi KeyDESSEGDLRYOPTJ-VRANXALZSA-N
Inchi IDInChI=1S/C46H56N10O10/c1-27(51-43(63)35(47)21-31-13-17-33(57)18-14-31)41(61)49-25-39(59)53-37(23-29-9-5-3-6-10-29)45(65)55-56-46(66)38(24-30-11-7-4-8-12-30)54-40(60)26-50-42(62)28(2)52-44(64)36(48)22-32-15-19-34(58)20-16-32/h3-20,27-28,35-38,57-58H,21-26,47-48H2,1-2H3,(H,49,61)(H,50,62)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,65)(H,56,66)/t27-,28-,35+,36+,37+,38+/m1/s1
PubChem CID5487663
ChEMBLCHEMBL200199
IUPHARN/A
BindingDB21014
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
EC501.0 nMPMID18821747BindingDB
EC501.0 nMPMID18821747ChEMBL
EC501.1 nMPMID18821747, PMID19762245, PMID17516639, PMID20617791, PMID20560643, PMID21366266, PMID16509592, PMID18266313, PMID17201419BindingDB,ChEMBL
EC501.122 nMPMID19762245, PMID17516639, PMID20617791, PMID20560643, PMID21366266, PMID16509592ChEMBL
EC502.5 nMPMID23623418ChEMBL
EC502.6 nMPMID18266313ChEMBL
Emax27.0 %PMID16275086, PMID23623418ChEMBL
Emax83.0 %PMID18821747, PMID19762245, PMID17516639, PMID20617791, PMID20560643, PMID21366266, PMID16509592, PMID18266313ChEMBL
Emax84.0 %PMID17201419ChEMBL
IC501.1 nMPMID17201419BindingDB
IC501.122 nMPMID17201419ChEMBL
IC502.5 nMPMID16275086BindingDB,ChEMBL
IC502.6 nMPMID16275086, PMID10509931BindingDB,ChEMBL
Ki2.6 nMPMID18821747, PMID19762245, PMID17516639, PMID20617791, PMID20560643, PMID21366266, PMID18266313, PMID23623418BindingDB,ChEMBL
logEC50-9.0 -PMID18266313ChEMBL

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