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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

NameCHEMBL493781
Molecular formulaC19H23N5O
IUPAC nameN-[1-(4-aminopyridin-2-yl)piperidin-4-yl]-N-pyridin-2-ylcyclopropanecarboxamide
Molecular weight337.427
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.0
SynonymsBDBM50257830
N-(1-(4-aminopyridin-2-yl)piperidin-4-yl)-N-(pyridin-2-yl)cyclopropanecarboxamide
Inchi KeyADEMYEDPMWTMAN-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H23N5O/c20-15-6-10-22-18(13-15)23-11-7-16(8-12-23)24(19(25)14-4-5-14)17-3-1-2-9-21-17/h1-3,6,9-10,13-14,16H,4-5,7-8,11-12H2,(H2,20,22)
PubChem CID44573444
ChEMBLCHEMBL493781
IUPHARN/A
BindingDB50257830
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50108.0 nMPMID19231185BindingDB,ChEMBL

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