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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	UNM000003546901
Molecular formula	C21H10ClF3O5
IUPAC name	[3-(2-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] furan-2-carboxylate
Molecular weight	434.751
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	5.5
Synonyms	AF-399/15034070 EU-0077210 CCG-110981 MCULE-7034771651 [3-(2-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] furan-2-carboxylate 3-(2-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate AC1LK3I1 ChemDiv1_028706 SR-01000485115-1 AKOS001646042 furan-2-carboxylic acid [3-(2-chlorophenyl)-4-keto-2-(trifluoromethyl)chromen-7-yl] ester ZINC706941 2-furancarboxylic acid [3-(2-chlorophenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester 3-(2-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl furan-2-carboxylate MolPort-000-661-391 AC1Q4ILF cid_1036526 ST50183400 BDBM40415 HMS668I18 [3-(2-chlorophenyl)-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] furan-2-carboxylate 3-(2-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-furoate CHEMBL1551148 SR-01000485115 [ Show all ]
Inchi Key	CNVUPTMAMYTSKJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H10ClF3O5/c22-14-5-2-1-4-12(14)17-18(26)13-8-7-11(29-20(27)15-6-3-9-28-15)10-16(13)30-19(17)21(23,24)25/h1-10H
PubChem CID	1036526
ChEMBL	CHEMBL1551148
IUPHAR	N/A
BindingDB	40415
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	3800.0 nM	N/A	BindingDB
Ki	2500.0 nM	N/A	BindingDB
KI_MICROM	2.5 um	PubChem BioAssay data set	ChEMBL

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