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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

NameBIBP3226
Molecular formulaC27H31N5O3
IUPAC name(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide
Molecular weight473.577
Hydrogen bond acceptor4
Hydrogen bond donor5
XlogP2.5
Synonyms102691-EP2272841A1
BIBP 3226
DTXSID30415502
ZINC3811314
(2R)-5-(diaminomethylideneamino)-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide
[ Show all ]
Inchi KeyKUWBXRGRMQZCSS-HSZRJFAPSA-N
Inchi IDInChI=1S/C27H31N5O3/c28-27(29)30-17-7-12-23(25(34)31-18-19-13-15-22(33)16-14-19)32-26(35)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-16,23-24,33H,7,12,17-18H2,(H,31,34)(H,32,35)(H4,28,29,30)/t23-/m1/s1
PubChem CID5311023
ChEMBLCHEMBL332347
IUPHAR1485
BindingDB50060728
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
FC12.0 -PMID22708927ChEMBL
FC30.0 -PMID22708927ChEMBL
FC671.0 -PMID22708927ChEMBL
Kd20.89 nMPMID22708927BindingDB,ChEMBL
Ki12.0 nMPMID26466164ChEMBL
Ki15.8489 - 100.0 nMPMID11024015, PMID12242085, PMID12421602IUPHAR
Ki18.0 nMPMID26466164ChEMBL

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