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GPCR

NameNociceptin receptor
SpeciesHomo sapiens (Human)
GeneOPRL1
SynonymOrphanin FQ receptor
OP4
NOPr
NOP-r
NOP receptor
[ Show all ]
DiseaseInflammatory disease
Major depressive disorder
Central nervous system disease
Heart failure
Anxiety disorder
[ Show all ]
Length370
Amino acid sequenceMEPLFPAPFWEVIYGSHLQGNLSLLSPNHSLLPPHLLLNASHGAFLPLGLKVTIVGLYLAVCVGGLLGNCLVMYVILRHTKMKTATNIYIFNLALADTLVLLTLPFQGTDILLGFWPFGNALCKTVIAIDYYNMFTSTFTLTAMSVDRYVAICHPIRALDVRTSSKAQAVNVAIWALASVVGVPVAIMGSAQVEDEEIECLVEIPTPQDYWGPVFAICIFLFSFIVPVLVISVCYSLMIRRLRGVRLLSGSREKDRNLRRITRLVLVVVAVFVGCWTPVQVFVLAQGLGVQPSSETAVAILRFCTALGYVNSCLNPILYAFLDENFKACFRKFCCASALRRDVQVSDRVRSIAKDVALACKTSETVPRPA
UniProtP41146
Protein Data Bank5dhh, 5dhg, 4ea3
GPCR-HGmod modelP41146
3D structure modelThis structure is from PDB ID 5dhh.
BioLiPBL0328039,BL0328040, BL0328041,BL0328042, BL0227293,BL0227294
Therapeutic Target DatabaseT52921
ChEMBLCHEMBL2014
IUPHAR320
DrugBankBE0002378

Ligand

NameCHEMBL208726
Molecular formulaC24H29N5O
IUPAC name4-[2-[5-[4-[2-(dimethylamino)ethyl]-1H-indol-2-yl]-1,2,4-oxadiazol-3-yl]ethyl]-N,N-dimethylaniline
Molecular weight403.53
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50185579
4-(2-(5-(4-(2-(dimethylamino)ethyl)-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl)ethyl)-N,N-dimethylbenzenamine
Inchi KeyANHAYCHRLRNJNI-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29N5O/c1-28(2)15-14-18-6-5-7-21-20(18)16-22(25-21)24-26-23(27-30-24)13-10-17-8-11-19(12-9-17)29(3)4/h5-9,11-12,16,25H,10,13-15H2,1-4H3
PubChem CID136043798
ChEMBLCHEMBL208726
IUPHARN/A
BindingDB50185579
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50<1000.0 nMPMID16621546BindingDB,ChEMBL
Inhibition44.0 %PMID16621546ChEMBL

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