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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

NameCHEMBL476540
Molecular formulaC28H28N2O3
IUPAC name(1S,2S,14R,22R)-23-(cyclopropylmethyl)-15-oxa-12,23-diazaoctacyclo[14.9.1.15,9.01,14.02,22.04,13.020,26.012,27]heptacosa-4(13),5,7,9(27),16,18,20(26)-heptaene-2,17-diol
Molecular weight440.543
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.2
SynonymsBDBM50262557
(5R,9R,13S,14S)-17-Cyclopropylmethyl-6,7-didehydro-4,5-epoxy-1'',2''-dihydropyrrolo[3,2,1-hi]indolo[4'',5'':6,7]morphinan-3,14-diol
Inchi KeyDBVSPUURNDDMFE-OZBXUNDUSA-N
Inchi IDInChI=1S/C28H28N2O3/c31-20-7-6-17-12-21-28(32)13-19-18-3-1-2-16-8-10-30(23(16)18)24(19)26-27(28,22(17)25(20)33-26)9-11-29(21)14-15-4-5-15/h1-3,6-7,15,21,26,31-32H,4-5,8-14H2/t21-,26+,27+,28-/m1/s1
PubChem CID24949532
ChEMBLCHEMBL476540
IUPHARN/A
BindingDB50262557
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity26.0 %PMID18637671ChEMBL

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