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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

NameCHEMBL513423
Molecular formulaC22H26ClFN2O2
IUPAC name(7R,9S)-7-[[(3R,4R)-4-(2-chloro-4-fluorophenyl)-3-hydroxypiperidin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
Molecular weight404.91
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.1
SynonymsBDBM50243730
SCHEMBL2885208
(7R,9S)-7-(((3R,4R)-4-(2-chloro-4-fluorophenyl)-3-hydroxypiperidin-1-yl)methyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
Inchi KeyADMTUTZDAMUJSX-PZQWHJIPSA-N
Inchi IDInChI=1S/C22H26ClFN2O2/c23-19-11-16(24)5-6-17(19)18-7-9-26(13-21(18)28)12-14-3-4-15-2-1-8-25-22(15)20(27)10-14/h1-2,5-6,8,11,14,18,20-21,27-28H,3-4,7,9-10,12-13H2/t14-,18-,20+,21+/m1/s1
PubChem CID11188910
ChEMBLCHEMBL513423
IUPHARN/A
BindingDB50243730
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC505.0 nMPMID18537234BindingDB,ChEMBL
Ki4.4 nMPMID18537234BindingDB,ChEMBL

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