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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	BDBM40401
Molecular formula	C24H27NO5
IUPAC name	4-benzoyl-1-hexyl-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione
Molecular weight	409.482
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.4
Synonyms	(4Z)-1-hexyl-5-(3-methoxy-4-oxidanyl-phenyl)-4-[oxidanyl(phenyl)methylidene]pyrrolidine-2,3-dione (4Z)-1-hexyl-5-(4-hydroxy-3-methoxy-phenyl)-4-[hydroxy(phenyl)methylene]pyrrolidine-2,3-quinone cid_5291143
Inchi Key	CRBWSCQTBBPMTG-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H27NO5/c1-3-4-5-9-14-25-21(17-12-13-18(26)19(15-17)30-2)20(23(28)24(25)29)22(27)16-10-7-6-8-11-16/h6-8,10-13,15,20-21,26H,3-5,9,14H2,1-2H3
PubChem CID	91896444
ChEMBL	N/A
IUPHAR	N/A
BindingDB	40401
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	7200.0 nM	N/A	BindingDB
Ki	4700.0 nM	N/A	BindingDB

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