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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

NameCHEMBL91760
Molecular formulaC23H30N6O5
IUPAC name(2S)-2-amino-N-[(2R)-1-[[2-[[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]-3-(4-hydroxyphenyl)propanamide
Molecular weight470.53
Hydrogen bond acceptor7
Hydrogen bond donor7
XlogP-0.8
SynonymsLS-105826
ASXZGPYHDUXBHW-CCKFTAQKSA-N
(S)-2-Amino-N-((R)-1-{[((S)-1-hydrazinocarbonyl-2-phenyl-ethylcarbamoyl)-methyl]-carbamoyl}-ethyl)-3-(4-hydroxy-phenyl)-propionamide
BDBM50081523
H-Tyr-(D)-Ala-Gly-Phe-NH-NH2
Inchi KeyASXZGPYHDUXBHW-CCKFTAQKSA-N
Inchi IDInChI=1S/C23H30N6O5/c1-14(27-22(33)18(24)11-16-7-9-17(30)10-8-16)21(32)26-13-20(31)28-19(23(34)29-25)12-15-5-3-2-4-6-15/h2-10,14,18-19,30H,11-13,24-25H2,1H3,(H,26,32)(H,27,33)(H,28,31)(H,29,34)/t14-,18+,19+/m1/s1
PubChem CID12802420
ChEMBLCHEMBL91760
IUPHARN/A
BindingDB50081523
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.

Experimental Data

ParameterValueReferenceDatabase source
IC50230.0 nMPMID10509931BindingDB,ChEMBL

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