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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

NameCHEMBL1079942
Molecular formulaC26H36N4O2
IUPAC name2-[8-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-oxo-1-phenyl-2,3,8-triazaspiro[4.5]dec-1-en-3-yl]-N-methylacetamide
Molecular weight436.6
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.5
Synonyms2-(8-(decahydronaphthalen-2-yl)-1-oxo-4-phenyl-2,3,8-triazaspiro[4.5]dec-3-en-2-yl)-N-methylacetamide
BDBM50311479
Inchi KeyAMSDLHMBLLSAKF-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H36N4O2/c1-27-23(31)18-30-25(32)26(24(28-30)20-8-3-2-4-9-20)13-15-29(16-14-26)22-12-11-19-7-5-6-10-21(19)17-22/h2-4,8-9,19,21-22H,5-7,10-18H2,1H3,(H,27,31)
PubChem CID46879669
ChEMBLCHEMBL1079942
IUPHARN/A
BindingDB50311479
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Activity74.0 %PMID19818611ChEMBL
IC5018.0 nMPMID19818611BindingDB,ChEMBL
Ki7.7 nMPMID19818611BindingDB,ChEMBL

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