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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

NameCHEMBL294134
Molecular formulaC31H42N6O8
IUPAC name(2S)-2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
Molecular weight626.711
Hydrogen bond acceptor9
Hydrogen bond donor8
XlogP-2.2
SynonymsBDBM50016459
2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-4-carbamoyl-butyrylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid
Inchi KeyADRDWKBFXHXFGK-QORCZRPOSA-N
Inchi IDInChI=1S/C31H42N6O8/c1-18(2)14-25(31(44)45)37-30(43)24(16-19-6-4-3-5-7-19)35-27(40)17-34-29(42)23(12-13-26(33)39)36-28(41)22(32)15-20-8-10-21(38)11-9-20/h3-11,18,22-25,38H,12-17,32H2,1-2H3,(H2,33,39)(H,34,42)(H,35,40)(H,36,41)(H,37,43)(H,44,45)/t22-,23-,24-,25-/m0/s1
PubChem CID44302918
ChEMBLCHEMBL294134
IUPHARN/A
BindingDB50016459
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
Ki47.0 nMPMID2444704BindingDB
Ki47.2 nMPMID2444704ChEMBL

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