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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

NameMLS000057035
Molecular formulaC21H15N5O
IUPAC nameN-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)benzamide
Molecular weight353.385
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.6
SynonymsAKOS034452984
N-(1-allyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)benzamide
SR-01000027334
CHEMBL1446025
N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)benzamide
[ Show all ]
Inchi KeyBSGMDKVANZZYAC-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H15N5O/c1-2-12-26-19(25-21(27)14-8-4-3-5-9-14)15(13-22)18-20(26)24-17-11-7-6-10-16(17)23-18/h2-11H,1,12H2,(H,25,27)
PubChem CID2309631
ChEMBLCHEMBL1446025
IUPHARN/A
BindingDB37679
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<66700.0 nMN/ABindingDB
Ki<43700.0 nMN/ABindingDB
Ki<66700.0 nMPubChem BioAssay data setChEMBL

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