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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

NameCHEMBL1762411
Molecular formulaC35H45N5O2
IUPAC name2-[[4-[(10-aminodecylamino)methyl]phenoxy]methyl]-N-(4-amino-2-methylquinolin-6-yl)benzamide
Molecular weight567.778
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP6.2
SynonymsBDBM50340682
N-(4-amino-2-methylquinolin-6-yl)-2-[4-(10-aminodecylaminomethyl)phenoxymethyl]benzamide
Inchi KeyAAEIJYARJYLTIS-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H45N5O2/c1-26-22-33(37)32-23-29(16-19-34(32)39-26)40-35(41)31-13-9-8-12-28(31)25-42-30-17-14-27(15-18-30)24-38-21-11-7-5-3-2-4-6-10-20-36/h8-9,12-19,22-23,38H,2-7,10-11,20-21,24-25,36H2,1H3,(H2,37,39)(H,40,41)
PubChem CID52915637
ChEMBLCHEMBL1762411
IUPHARN/A
BindingDB50340682
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50152.9 nMPMID21330016BindingDB,ChEMBL

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