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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

NameCHEMBL437242
Molecular formulaC46H73N15O9
IUPAC name(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanamide
Molecular weight980.186
Hydrogen bond acceptor12
Hydrogen bond donor14
XlogP-2.1
SynonymsBDBM50010538
2-[2-(2-{2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methyl-pentanoylamino}-5-guanidino-pentanoylamino)-5-guanidino-pentanoylamino]-3-methyl-pentanoic acid amide
Inchi KeyALYDWGRDFMLDRH-VORHEVMJSA-N
Inchi IDInChI=1S/C46H73N15O9/c1-5-27(4)38(39(48)65)61-42(68)33(14-10-20-54-46(51)52)58-41(67)32(13-9-19-53-45(49)50)59-43(69)34(21-26(2)3)60-44(70)35(23-28-11-7-6-8-12-28)57-37(64)25-55-36(63)24-56-40(66)31(47)22-29-15-17-30(62)18-16-29/h6-8,11-12,15-18,26-27,31-35,38,62H,5,9-10,13-14,19-25,47H2,1-4H3,(H2,48,65)(H,55,63)(H,56,66)(H,57,64)(H,58,67)(H,59,69)(H,60,70)(H,61,68)(H4,49,50,53)(H4,51,52,54)/t27-,31-,32-,33-,34-,35+,38-/m0/s1
PubChem CID44307234
ChEMBLCHEMBL437242
IUPHARN/A
BindingDB50010538
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki23.62 nMPMID1967312ChEMBL
Ki24.0 nMPMID1967312BindingDB

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