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GPCR

NamefMet-Leu-Phe receptor
SpeciesHomo sapiens (Human)
GeneFPR1
SynonymNFPR
N-formylpeptide chemoattractant receptor
N-formyl peptide receptor
FPR1
FPR
[ Show all ]
DiseaseInflammatory disease
Peptic ulcer
Length350
Amino acid sequenceMETNSSLPTNISGGTPAVSAGYLFLDIITYLVFAVTFVLGVLGNGLVIWVAGFRMTHTVTTISYLNLAVADFCFTSTLPFFMVRKAMGGHWPFGWFLCKFVFTIVDINLFGSVFLIALIALDRCVCVLHPVWTQNHRTVSLAKKVIIGPWVMALLLTLPVIIRVTTVPGKTGTVACTFNFSPWTNDPKERINVAVAMLTVRGIIRFIIGFSAPMSIVAVSYGLIATKIHKQGLIKSSRPLRVLSFVAAAFFLCWSPYQVVALIATVRIRELLQGMYKEIGIAVDVTSALAFFNSCLNPMLYVFMGQDFRERLIHALPASLERALTEDSTQTSDTATNSTLPSAEVELQAK
UniProtP21462
Protein Data BankN/A
GPCR-HGmod modelP21462
3D structure modelThis predicted structure model is from GPCR-EXP P21462.
BioLiPN/A
Therapeutic Target DatabaseT87831
ChEMBLCHEMBL3359
IUPHAR222
DrugBankBE0000995

Ligand

Namediamide 7
Molecular formulaC22H22N2O3S
IUPAC nameN-[2-(2,6-dimethylanilino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2-hydroxybenzamide
Molecular weight394.489
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.8
SynonymsCHEMBL1770298
GTPL5830
BDBM50418334
D0G5DH
N-[2-(2,6-dimethylanilino)-1-(5-methylthiophen-2-yl)-2-oxoethyl]-2-hydroxybenzamide
Inchi KeyAHTURLVFIJHCLS-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22N2O3S/c1-13-7-6-8-14(2)19(13)23-22(27)20(18-12-11-15(3)28-18)24-21(26)16-9-4-5-10-17(16)25/h4-12,20,25H,1-3H3,(H,23,27)(H,24,26)
PubChem CID53233899
ChEMBLCHEMBL1770298
IUPHAR5830
BindingDB50418334
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50100.0 nMPMID21486695ChEMBL
IC50316.228 nMPMID21486695IUPHAR
IC50316.23 nMPMID21486695ChEMBL
IC50398.0 nMPMID21486695, PMID21955939BindingDB
IC50398.11 nMPMID21486695, PMID21955939ChEMBL
IC501584.89 nMPMID21486695ChEMBL
Inhibition>25.0 %PMID21486695ChEMBL

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