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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

NameCHEMBL2158955
Molecular formulaC47H61N9O8S
IUPAC name(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
Molecular weight912.12
Hydrogen bond acceptor10
Hydrogen bond donor9
XlogP3.2
SynonymsBDBM50394199
Inchi KeyACGXKOXXJWJWLJ-WUUXXMBLSA-N
Inchi IDInChI=1S/C47H61N9O8S/c1-28(2)22-37(44(61)53-36(42(49)59)19-21-65-3)52-41(58)27-51-43(60)38(24-29-10-5-4-6-11-29)54-45(62)39(25-31-26-50-35-13-8-7-12-33(31)35)55-46(63)40-14-9-20-56(40)47(64)34(48)23-30-15-17-32(57)18-16-30/h4-8,10-13,15-18,26,28,34,36-40,50,57H,9,14,19-25,27,48H2,1-3H3,(H2,49,59)(H,51,60)(H,52,58)(H,53,61)(H,54,62)(H,55,63)/t34-,36-,37-,38-,39-,40-/m0/s1
PubChem CID71451409
ChEMBLCHEMBL2158955
IUPHARN/A
BindingDB50394199
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki1977.0 nMPMID23022277BindingDB,ChEMBL

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