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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	BDBM40418
Molecular formula	C23H26N2O6S
IUPAC name	5-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-4-(thiophene-2-carbonyl)pyrrolidine-2,3-dione
Molecular weight	458.529
Hydrogen bond acceptor	8
Hydrogen bond donor	0
XlogP	2.1
Synonyms	2-(2,4-dimethoxyphenyl)-4-hydroxy-1-[2-(4-morpholinyl)ethyl]-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-5-one 2-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ylethyl)-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one cid_15996528 2-(2,4-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one 5-(2,4-dimethoxyphenyl)-3-hydroxy-1-(2-morpholinoethyl)-4-(2-thenoyl)-3-pyrrolin-2-one
Inchi Key	CHGBVULFPURFDI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H26N2O6S/c1-29-15-5-6-16(17(14-15)30-2)20-19(21(26)18-4-3-13-32-18)22(27)23(28)25(20)8-7-24-9-11-31-12-10-24/h3-6,13-14,19-20H,7-12H2,1-2H3
PubChem CID	91896452
ChEMBL	N/A
IUPHAR	N/A
BindingDB	40418
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	4400.0 nM	N/A	BindingDB
Ki	2900.0 nM	N/A	BindingDB

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