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GPCR

NameDelta-type opioid receptor
SpeciesHomo sapiens (Human)
GeneOPRD1
SynonymDOP
OP1
DOR-1
DOR
D-OR-1
[ Show all ]
DiseaseUrinary incontinence
Rheumatoid arthritis
Premature ejaculation
Pain
Overactive bladder disorder
[ Show all ]
Length372
Amino acid sequenceMEPAPSAGAELQPPLFANASDAYPSACPSAGANASGPPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKMKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTRPRDGAVVCMLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDIDRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRKPCGRPDPSSFSRAREATARERVTACTPSDGPGGGAAA
UniProtP41143
Protein Data Bank4n6h, 4rwd, 4rwa
GPCR-HGmod modelP41143
3D structure modelThis structure is from PDB ID 4n6h.
BioLiPBL0265712, BL0265705,BL0265706,BL0265707,, BL0303699,BL0303701, BL0303698,BL0303700, BL0303696,BL0303697
Therapeutic Target DatabaseT58992
ChEMBLCHEMBL236
IUPHAR317
DrugBankBE0000420

Ligand

NameCHEMBL124642
Molecular formulaC23H31N3O
IUPAC nameN,N-diethyl-4-[(4-methylpiperazin-1-yl)-phenylmethyl]benzamide
Molecular weight365.521
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.5
SynonymsCHEMBL555571
BDBM50084248
N,N-Diethyl-4-[alpha-(4-methylpiperazino)benzyl]benzamide
N,N-Diethyl-4-[(4-methyl-piperazin-1-yl)-phenyl-methyl]-benzamide; hydrochloride
Inchi KeyADYWDZJRWKEHMW-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H31N3O/c1-4-25(5-2)23(27)21-13-11-20(12-14-21)22(19-9-7-6-8-10-19)26-17-15-24(3)16-18-26/h6-14,22H,4-5,15-18H2,1-3H3
PubChem CID10690216
ChEMBLCHEMBL124642
IUPHARN/A
BindingDB50084248
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50211.0 nMPMID11052793BindingDB,ChEMBL
IC5040.0 nMPMID11052793BindingDB
IC5040.4 nMPMID11052793ChEMBL

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