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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	UNM000003607801
Molecular formula	C18H18N2O4S
IUPAC name	N-(furan-2-ylmethyl)-N-quinolin-8-ylsulfonylbutanamide
Molecular weight	358.412
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.5
Synonyms	CHEMBL1394724 N-(furan-2-ylmethyl)-N-quinolin-8-ylsulfonylbutanamide MolPort-000-631-638 BDBM40447 N-(2-furylmethyl)-N-(quinolin-8-ylsulfonyl)butanamide cid_6458050 AC1O5H9E N-(2-furanylmethyl)-N-(8-quinolinylsulfonyl)butanamide N-(furan-2-ylmethyl)-N-quinolin-8-ylsulfonyl-butanamide MCULE-2550836022 ZINC5234885 AKOS001780537 N-(2-furfuryl)-N-(8-quinolylsulfonyl)butyramide [ Show all ]
Inchi Key	CQDBTSUEPCZFCJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H18N2O4S/c1-2-6-17(21)20(13-15-9-5-12-24-15)25(22,23)16-10-3-7-14-8-4-11-19-18(14)16/h3-5,7-12H,2,6,13H2,1H3
PubChem CID	6458050
ChEMBL	CHEMBL1394724
IUPHAR	N/A
BindingDB	40447
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	<44300.0 nM	N/A	BindingDB
KI_MICROM	<44.3 um	PubChem BioAssay data set	ChEMBL

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