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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

NameCHEMBL211846
Molecular formulaC22H31FN2
IUPAC name3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole
Molecular weight342.502
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP6.2
SynonymsBDBM50185810
SCHEMBL14280674
3-(1-(cyclooctylmethyl)piperidin-4-yl)-5-fluoro-1H-indole
Inchi KeyBBBYVYIYJFRBCC-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H31FN2/c23-19-8-9-22-20(14-19)21(15-24-22)18-10-12-25(13-11-18)16-17-6-4-2-1-3-5-7-17/h8-9,14-15,17-18,24H,1-7,10-13,16H2
PubChem CID16665917
ChEMBLCHEMBL211846
IUPHARN/A
BindingDB50185810
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki<5000.0 nMPMID16632355BindingDB,ChEMBL

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