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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

NameCHEMBL2372395
Molecular formulaC28H38N6O7S
IUPAC namemethyl 2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(diaminomethylideneamino)-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinylbutanoyl]amino]-3-phenylpropanoyl]-methylamino]acetate
Molecular weight602.707
Hydrogen bond acceptor9
Hydrogen bond donor5
XlogP0.1
SynonymsBDBM50019830
[(2-{2-[2-Guanidino-3-(4-hydroxy-phenyl)-propionylamino]-4-methanesulfinyl-butyrylamino}-3-phenyl-propionyl)-methyl-amino]-acetic acid methyl ester
Inchi KeyAVGMCYZFGPJTPW-VGORAETMSA-N
Inchi IDInChI=1S/C28H38N6O7S/c1-34(17-24(36)41-2)27(39)23(16-18-7-5-4-6-8-18)32-25(37)21(13-14-42(3)40)31-26(38)22(33-28(29)30)15-19-9-11-20(35)12-10-19/h4-12,21-23,35H,13-17H2,1-3H3,(H,31,38)(H,32,37)(H4,29,30,33)/t21-,22-,23-,42?/m0/s1
PubChem CID73345679
ChEMBLCHEMBL2372395
IUPHARN/A
BindingDB50019830
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50150.0 nMPMID2887656BindingDB,ChEMBL
Relative potency1.23 -PMID2887656ChEMBL

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