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BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

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GPCR

NameNeuropeptide FF receptor 1
SpeciesHomo sapiens (Human)
GeneNPFFR1
SynonymGnIH-R
G protein-coupled receptor 147
OT7T022
NPFF1R1
NPFF1 receptor
[ Show all ]
DiseaseN/A
Length430
Amino acid sequenceMEGEPSQPPNSSWPLSQNGTNTEATPATNLTFSSYYQHTSPVAAMFIVAYALIFLLCMVGNTLVCFIVLKNRHMHTVTNMFILNLAVSDLLVGIFCMPTTLVDNLITGWPFDNATCKMSGLVQGMSVSASVFTLVAIAVERFRCIVHPFREKLTLRKALVTIAVIWALALLIMCPSAVTLTVTREEHHFMVDARNRSYPLYSCWEAWPEKGMRRVYTTVLFSHIYLAPLALIVVMYARIARKLCQAPGPAPGGEEAADPRASRRRARVVHMLVMVALFFTLSWLPLWALLLLIDYGQLSAPQLHLVTVYAFPFAHWLAFFNSSANPIIYGYFNENFRRGFQAAFRARLCPRPSGSHKEAYSERPGGLLHRRVFVVVRPSDSGLPSESGPSSGAPRPGRLPLRNGRVAHHGLPREGPGCSHLPLTIPAWDI
UniProtQ9GZQ6
Protein Data BankN/A
GPCR-HGmod modelQ9GZQ6
3D structure modelThis predicted structure model is from GPCR-EXP Q9GZQ6.
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5951
IUPHAR300
DrugBankN/A

Ligand

NameCHEMBL3361419
Molecular formulaC24H34N6O3
IUPAC nameN-[[1-benzyl-4-(3,5-dimethoxyanilino)piperidin-4-yl]methyl]-2-(diaminomethylideneamino)acetamide
Molecular weight454.575
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP1.7
SynonymsBDBM50029109
Inchi KeyADVZHMYYGIKXKT-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H34N6O3/c1-32-20-12-19(13-21(14-20)33-2)29-24(17-28-22(31)15-27-23(25)26)8-10-30(11-9-24)16-18-6-4-3-5-7-18/h3-7,12-14,29H,8-11,15-17H2,1-2H3,(H,28,31)(H4,25,26,27)
PubChem CID118724980
ChEMBLCHEMBL3361419
IUPHARN/A
BindingDB50029109
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<10000.0 nMPMID25268943BindingDB,ChEMBL
Ki114.0 nMPMID25268943BindingDB,ChEMBL

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