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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

NameCHEMBL2372106
Molecular formulaC43H66N6O8
IUPAC name(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-(adamantane-1-carbonylamino)-6-aminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
Molecular weight795.035
Hydrogen bond acceptor9
Hydrogen bond donor7
XlogP2.8
SynonymsBDBM50281811
SCHEMBL9540762
(S)-2-{(2S,3S)-2-[(S)-2-[((S)-1-{(S)-2-[(Adamantane-1-carbonyl)-amino]-6-amino-hexanoyl}-pyrrolidine-2-carbonyl)-amino]-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid
Inchi KeyUIMKLZHPVRXKRP-UBFYEMQFSA-N
Inchi IDInChI=1S/C43H66N6O8/c1-5-26(4)36(39(53)46-34(41(55)56)17-25(2)3)48-37(51)33(21-27-11-13-31(50)14-12-27)45-38(52)35-10-8-16-49(35)40(54)32(9-6-7-15-44)47-42(57)43-22-28-18-29(23-43)20-30(19-28)24-43/h11-14,25-26,28-30,32-36,50H,5-10,15-24,44H2,1-4H3,(H,45,52)(H,46,53)(H,47,57)(H,48,51)(H,55,56)/t26-,28?,29?,30?,32-,33-,34-,35-,36-,43?/m0/s1
PubChem CID10463024
ChEMBLCHEMBL2372106
IUPHARN/A
BindingDB50281811
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
Ki<100000.0 nM, Bioorg. Med. Chem. Lett., (1993) 3:10:2055BindingDB,ChEMBL

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