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GPCR

Name	fMet-Leu-Phe receptor
Species	Homo sapiens (Human)
Gene	FPR1
Synonym	NFPR N-formylpeptide chemoattractant receptor N-formyl peptide receptor FPR1 FPR formyl peptide receptor 1 fMLP receptor fMLF-R [ Show all ]
Disease	Inflammatory disease Peptic ulcer
Length	350
Amino acid sequence	METNSSLPTNISGGTPAVSAGYLFLDIITYLVFAVTFVLGVLGNGLVIWVAGFRMTHTVTTISYLNLAVADFCFTSTLPFFMVRKAMGGHWPFGWFLCKFVFTIVDINLFGSVFLIALIALDRCVCVLHPVWTQNHRTVSLAKKVIIGPWVMALLLTLPVIIRVTTVPGKTGTVACTFNFSPWTNDPKERINVAVAMLTVRGIIRFIIGFSAPMSIVAVSYGLIATKIHKQGLIKSSRPLRVLSFVAAAFFLCWSPYQVVALIATVRIRELLQGMYKEIGIAVDVTSALAFFNSCLNPMLYVFMGQDFRERLIHALPASLERALTEDSTQTSDTATNSTLPSAEVELQAK
UniProt	P21462
Protein Data Bank	N/A
GPCR-HGmod model	P21462
3D structure model	This predicted structure model is from GPCR-EXP P21462.
BioLiP	N/A
Therapeutic Target Database	T87831
ChEMBL	CHEMBL3359
IUPHAR	222
DrugBank	BE0000995

Ligand

Name	5-[4-(allyloxy)phenyl]-4-(2-furoyl)-3-hydroxy-1-(3-pyridinylmethyl)-1,5-dihydro-2H-pyrrol-2-one
Molecular formula	C24H20N2O5
IUPAC name	3-(furan-2-carbonyl)-4-hydroxy-2-(4-prop-2-enoxyphenyl)-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
Molecular weight	416.433
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.4
Synonyms	MCULE-9686170349 ST50016693 AC1MEZC0 BAS 03305326 NCGC00060319-02 EU-0010845 SR-01000487368 MLS002540841 STK809954 AKOS000528023 Oprea1_186100 4-(2-furylcarbonyl)-3-hydroxy-5-(4-prop-2-enyloxyphenyl)-1-(3-pyridylmethyl)-3 -pyrrolin-2-one HMS2352M04 SR-01000487368-1 5-[4-(allyloxy)phenyl]-4-(2-furoyl)-3-hydroxy-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one MolPort-000-426-545 AKOS016291042 CHEMBL1517647 Oprea1_579354 4-(furan-2-ylcarbonyl)-3-hydroxy-5-[4-(prop-2-en-1-yloxy)phenyl]-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-pyrrol-2-one [ Show all ]
Inchi Key	CHDCBILKDYWOOU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H20N2O5/c1-2-12-30-18-9-7-17(8-10-18)21-20(22(27)19-6-4-13-31-19)23(28)24(29)26(21)15-16-5-3-11-25-14-16/h2-11,13-14,21,28H,1,12,15H2
PubChem CID	2911378
ChEMBL	CHEMBL1517647
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	9700.0 nM	PubChem BioAssay data set	ChEMBL

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