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GPCR

NameDelta-type opioid receptor
SpeciesRattus norvegicus (Rat)
GeneOprd1
Synonymopioid receptor
OP1
DOR-1
DOR
DOPr
[ Show all ]
DiseaseN/A for non-human GPCRs
Length372
Amino acid sequenceMEPVPSARAELQFSLLANVSDTFPSAFPSASANASGSPGARSASSLALAIAITALYSAVCAVGLLGNVLVMFGIVRYTKLKTATNIYIFNLALADALATSTLPFQSAKYLMETWPFGELLCKAVLSIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPAKAKLINICIWVLASGVGVPIMVMAVTQPRDGAVVCTLQFPSPSWYWDTVTKICVFLFAFVVPILIITVCYGLMLLRLRSVRLLSGSKEKDRSLRRITRMVLVVVGAFVVCWAPIHIFVIVWTLVDINRRDPLVVAALHLCIALGYANSSLNPVLYAFLDENFKRCFRQLCRAPCGGQEPGSLRRPRQATARERVTACTPSDGPGGGAAA
UniProtP33533
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL269
IUPHAR317
DrugBankN/A

Ligand

NameCHEMBL44172
Molecular formulaC25H31N5O7
IUPAC name(3S)-4-amino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoic acid
Molecular weight513.551
Hydrogen bond acceptor8
Hydrogen bond donor7
XlogP-3.4
SynonymsBDBM50009191
3-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-succinamic acid
Inchi KeyAAVSVNSRXLRHJZ-DSYPUSFNSA-N
Inchi IDInChI=1S/C25H31N5O7/c1-14(28-24(36)18(26)11-16-7-9-17(31)10-8-16)23(35)30-20(12-15-5-3-2-4-6-15)25(37)29-19(22(27)34)13-21(32)33/h2-10,14,18-20,31H,11-13,26H2,1H3,(H2,27,34)(H,28,36)(H,29,37)(H,30,35)(H,32,33)/t14-,18-,19-,20-/m0/s1
PubChem CID44290469
ChEMBLCHEMBL44172
IUPHARN/A
BindingDB50009191
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
IC50960.0 nMPMID1851843BindingDB,ChEMBL

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