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GLASS

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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	methionine benzimidazole 6
Molecular formula	C23H25N3O3S
IUPAC name	N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
Molecular weight	423.531
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	4.8
Synonyms	GTPL5829 AC1N7MKZ CHEMBL1770297 BDBM50418335 D05UWQ N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide [ Show all ]
Inchi Key	AIMYRLXVAOYQLA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H25N3O3S/c1-4-28-15-9-10-20-16(13-15)14(2)21(29-20)23(27)26-19(11-12-30-3)22-24-17-7-5-6-8-18(17)25-22/h5-10,13,19H,4,11-12H2,1-3H3,(H,24,25)(H,26,27)
PubChem CID	4329947
ChEMBL	CHEMBL1770297
IUPHAR	5829
BindingDB	50418335
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	31.62 nM	PMID21486695	ChEMBL
IC50	158.0 nM	PMID21486695	BindingDB
IC50	158.49 nM	PMID21486695	ChEMBL
IC50	501.0 nM	PMID21955939	BindingDB
IC50	501.187 nM	PMID21486695	IUPHAR
IC50	501.19 nM	PMID21486695, PMID21955939	ChEMBL
IC50	3162.28 nM	PMID21486695	ChEMBL
Inhibition	>25.0 %	PMID21486695	ChEMBL

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