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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	UNM000003539401
Molecular formula	C23H15F3O7
IUPAC name	[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] furan-2-carboxylate
Molecular weight	460.361
Hydrogen bond acceptor	10
Hydrogen bond donor	0
XlogP	4.8
Synonyms	SR-01000458889 307534-94-7 AC1Q46N9 cid_1036463 STL332415 BDBM40413 MCULE-6418690008 [3-(3,4-dimethoxyphenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] furan-2-carboxylate 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate CHEMBL1473100 SR-01000458889-1 AF-399/15031146 furan-2-carboxylic acid [3-(3,4-dimethoxyphenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester 2-furancarboxylic acid [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester CCG-108739 MolPort-000-660-922 [3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] furan-2-carboxylate 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl furan-2-carboxyl ate ChemDiv1_006683 ST50184123 AC1LK3D1 AKOS001487266 HMS605P17 ZINC706866 3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-furoate [ Show all ]
Inchi Key	AFRGGYNZKHADNN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H15F3O7/c1-29-15-8-5-12(10-18(15)30-2)19-20(27)14-7-6-13(32-22(28)16-4-3-9-31-16)11-17(14)33-21(19)23(24,25)26/h3-11H,1-2H3
PubChem CID	1036463
ChEMBL	CHEMBL1473100
IUPHAR	N/A
BindingDB	40413
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	5000.0 nM	N/A	BindingDB
Ki	3300.0 nM	N/A	BindingDB
KI_MICROM	3.3 um	PubChem BioAssay data set	ChEMBL

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