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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

NameCHEMBL2208309
Molecular formulaC19H28N6O5
IUPAC name4-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
Molecular weight420.47
Hydrogen bond acceptor6
Hydrogen bond donor6
XlogP-1.7
SynonymsN/A
Inchi KeyBILCXNYDRJLYFG-KBPBESRZSA-N
Inchi IDInChI=1S/C19H28N6O5/c20-17(29)14(11-12-5-2-1-3-6-12)25-18(30)13(7-4-10-23-19(21)22)24-15(26)8-9-16(27)28/h1-3,5-6,13-14H,4,7-11H2,(H2,20,29)(H,24,26)(H,25,30)(H,27,28)(H4,21,22,23)/t13-,14-/m0/s1
PubChem CID71463274
ChEMBLCHEMBL2208309
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition29.0 %PMID23131340ChEMBL
Inhibition34.0 %PMID23131340ChEMBL

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