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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

NameCHEMBL231049
Molecular formulaC24H31N3O2
IUPAC nameN-[1-[3-amino-3-(4-methylphenyl)propanoyl]piperidin-4-yl]-N-phenylpropanamide
Molecular weight393.531
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP2.7
SynonymsBDBM50206660
N-(1-(3-amino-3-p-tolylpropanoyl)piperidin-4-yl)-N-phenylpropionamide
Inchi KeyAEKPGIOXTWFYQA-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H31N3O2/c1-3-23(28)27(20-7-5-4-6-8-20)21-13-15-26(16-14-21)24(29)17-22(25)19-11-9-18(2)10-12-19/h4-12,21-22H,3,13-17,25H2,1-2H3
PubChem CID44425376
ChEMBLCHEMBL231049
IUPHARN/A
BindingDB50206660
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki2900.0 nMPMID17329100BindingDB,ChEMBL

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