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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	MLS000086404
Molecular formula	C25H25N3O6
IUPAC name	4-[[12-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-8-oxo-15-oxa-14-azatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2,4,6,9,11,13-heptaen-10-yl]amino]butanoic acid
Molecular weight	463.49
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	3.3
Synonyms	MCULE-7230846846 SMR000021906 AKOS001778043 CHEMBL1309430 4-{[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl]amino}butanoic acid ZINC2457288 BDBM37712 cid_3239469 MolPort-007-586-479 AC1MMIWN [ Show all ]
Inchi Key	BBPLHURIVUXONI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H25N3O6/c29-19(30)6-3-9-26-17-14-18(28-10-7-25(8-11-28)32-12-13-33-25)22-21-20(17)23(31)15-4-1-2-5-16(15)24(21)34-27-22/h1-2,4-5,14,26H,3,6-13H2,(H,29,30)
PubChem CID	3239469
ChEMBL	CHEMBL1309430
IUPHAR	N/A
BindingDB	37712
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	34100.0 nM	N/A	BindingDB
Ki	22300.0 nM	N/A	BindingDB
Ki	34100.0 nM	PubChem BioAssay data set	ChEMBL

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