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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

NameCHEMBL513303
Molecular formulaC32H36Cl2N2O
IUPAC name3-(1-benzylpyrrolidin-2-yl)-8-[(2-chloro-4-methylphenyl)-(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
Molecular weight535.553
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP7.5
Synonyms3-(1-benzylpyrrolidin-2-yl)-8-((2-chloro-4-methylphenyl)(2-chlorophenyl)methyl)-8-azabicyclo[3.2.1]octan-3-ol
BDBM50259102
Inchi KeyAJROZQRQWUWULZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H36Cl2N2O/c1-22-13-16-27(29(34)18-22)31(26-10-5-6-11-28(26)33)36-24-14-15-25(36)20-32(37,19-24)30-12-7-17-35(30)21-23-8-3-2-4-9-23/h2-6,8-11,13,16,18,24-25,30-31,37H,7,12,14-15,17,19-21H2,1H3
PubChem CID44574630
ChEMBLCHEMBL513303
IUPHARN/A
BindingDB50259102
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
Ki14.0 nMPMID19339177BindingDB,ChEMBL

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