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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

NameCHEMBL382597
Molecular formulaC36H45N3O3
IUPAC name3-(5-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-[(7R)-5-(3-hydroxyphenyl)-4-methyl-2-(3-phenylpropyl)-2-azabicyclo[3.3.1]nonan-7-yl]propanamide
Molecular weight567.774
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP6.0
SynonymsN/A
Inchi KeyAJHLWUQDIIXEEO-MNJVNLEGSA-N
Inchi IDInChI=1S/C36H45N3O3/c1-26-24-39(17-7-10-27-8-3-2-4-9-27)31-21-30(22-36(26,23-31)29-12-6-13-32(40)20-29)37-35(42)16-19-38-18-15-33-28(25-38)11-5-14-34(33)41/h2-6,8-9,11-14,20,26,30-31,40-41H,7,10,15-19,21-25H2,1H3,(H,37,42)/t26?,30-,31?,36?/m0/s1
PubChem CID44408410
ChEMBLCHEMBL382597
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ke25.0 nMPMID16509593ChEMBL

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