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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL1770475
Molecular formula	C26H24N4OS
IUPAC name	N-[1-[1-[(4-cyanophenyl)methyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide
Molecular weight	440.565
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.6
Synonyms	N-[1-[1-[(4-cyanophenyl)methyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide AC1N0LLS BDBM50418344
Inchi Key	DHNKGZRZFTXMAC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H24N4OS/c1-32-16-15-23(29-26(31)21-7-3-2-4-8-21)25-28-22-9-5-6-10-24(22)30(25)18-20-13-11-19(17-27)12-14-20/h2-14,23H,15-16,18H2,1H3,(H,29,31)
PubChem CID	3939767
ChEMBL	CHEMBL1770475
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
IC50	316.23 nM	PMID21486695	ChEMBL
Inhibition	>25.0 %	PMID21486695	ChEMBL

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