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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

NameCHEMBL347750
Molecular formulaC21H28N2O2
IUPAC name3-(3-hydroxyphenyl)-2,2-dimethyl-3-(methylamino)-N-(3-phenylpropyl)propanamide
Molecular weight340.467
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP3.5
SynonymsSCHEMBL7101712
BDBM50086366
N-(3-Phenylpropyl)-alpha,alpha-dimethyl-beta-(methylamino)-3-hydroxybenzenepropanamide
3-(3-Hydroxy-phenyl)-2,2-dimethyl-3-methylamino-N-(3-phenyl-propyl)-propionamide
Inchi KeyAHTQSMPGKJEFNT-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H28N2O2/c1-21(2,19(22-3)17-12-7-13-18(24)15-17)20(25)23-14-8-11-16-9-5-4-6-10-16/h4-7,9-10,12-13,15,19,22,24H,8,11,14H2,1-3H3,(H,23,25)
PubChem CID17798978
ChEMBLCHEMBL347750
IUPHARN/A
BindingDB50086366
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<10000.0 nMPMID10741545BindingDB,ChEMBL

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