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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

NameMLS000046638
Molecular formulaC21H32N2O3S
IUPAC name(4-benzylpiperidin-1-yl)-(1-propylsulfonylpiperidin-3-yl)methanone
Molecular weight392.558
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.1
Synonyms(4-benzylpiperidin-1-yl)-(1-propylsulfonylpiperidin-3-yl)methanone
cid_3237289
[4-(phenylmethyl)-1-piperidinyl]-(1-propylsulfonyl-3-piperidinyl)methanone
HMS3308J21
REGID_for_CID_3237289
[ Show all ]
Inchi KeyANDSXDKABIYGPB-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H32N2O3S/c1-2-15-27(25,26)23-12-6-9-20(17-23)21(24)22-13-10-19(11-14-22)16-18-7-4-3-5-8-18/h3-5,7-8,19-20H,2,6,9-17H2,1H3
PubChem CID3237289
ChEMBLCHEMBL1430943
IUPHARN/A
BindingDB37695
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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