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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	MLS000045459
Molecular formula	C18H16N4O4S
IUPAC name	5-(2,4-dimethoxyphenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine
Molecular weight	384.41
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	4.0
Synonyms	MCULE-8750679114 SR-01000128631-1 AC1MMDT5 MLS000102056 ZINC4111480 SMR000016519 5-(2,4-dimethoxyphenyl)-N-(4-methoxybenzo[d]thiazol-2-yl)-1,3,4-oxadiazol-2-amine F0646-1303 MLS-0067495.0001 SR-01000128631-4 AKOS024590998 MolPort-003-449-665 [5-(2,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-(4-methoxy-1,3-benzothiazol-2-yl)amine CHEMBL1612493 HMS2499D24 SR-01000128631 862974-26-3 UNM000002567302 BDBM37694 SCHEMBL15575446 5-(2,4-dimethoxyphenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1,3,4-oxadiazol-2-amine cid_3237187 [ Show all ]
Inchi Key	AUCYWRZTWZBNSJ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H16N4O4S/c1-23-10-7-8-11(13(9-10)25-3)16-21-22-17(26-16)20-18-19-15-12(24-2)5-4-6-14(15)27-18/h4-9H,1-3H3,(H,19,20,22)
PubChem CID	3237187
ChEMBL	CHEMBL1612493
IUPHAR	N/A
BindingDB	37694
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
Ki	<66700.0 nM	PubChem BioAssay data set	ChEMBL

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