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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	Amedin
Molecular formula	C18H27NO3
IUPAC name	2-(dimethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
Molecular weight	305.418
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.4
Synonyms	AKOS003658236 Cyclohexyl-hydroxy-phenyl-acetic acid 2-dimethylamino-ethyl ester SMR000012218 2-cyclohexyl-2-hydroxy-2-phenylacetic acid 2-(dimethylamino)ethyl ester;hydrochloride BAS 03334766 MCULE-7935218798 AC1L51RD cid_3083979 NCGC00072871-02 2-(dimethylamino)ethyl cyclohexyl(hydroxy)phenylacetate AKOS022081914 Dimethylamainoethyl 2-cyclohexyl-2-hydroxy-2-phenyl acetate STK067602 2-dimethylaminoethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate 6834-29-3 (hydrochloride) BDBM37618 MLS000068648 2-(dimethylamino)ethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate;hydrochloride AC1Q67OL CTK5C7828 NCGC00072871-03 2-cyclohexyl-2-hydroxy-2-phenyl-acetic acid 2-(dimethylamino)ethyl ester;hydrochloride Dimethylaminoethylphenylcyclohexyl glycolic acid 25520-98-3 AB00479718-09 CHEMBL1619633 MolPort-001-910-147 2-(dimethylamino)ethyl 2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoate;hydrochloride [ Show all ]
Inchi Key	BGUILKOLBPOILU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H27NO3/c1-19(2)13-14-22-17(20)18(21,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3,5-6,9-10,16,21H,4,7-8,11-14H2,1-2H3
PubChem CID	168386
ChEMBL	N/A
IUPHAR	N/A
BindingDB	37618
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	<66700.0 nM	N/A	BindingDB
Ki	<43700.0 nM	N/A	BindingDB

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