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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	MLS000116347
Molecular formula	C18H20N2O4S
IUPAC name	ethyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Molecular weight	360.428
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	4.1
Synonyms	AC1NSCHP ethyl 2-[(5-cyclopropylisoxazol-3-yl)carbonylamino]-4,5,6,7-tetrahydrobenzo[b] thiophene-3-carboxylate SR-01000122629-1 2-[[(5-cyclopropyl-3-isoxazolyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester ethyl 2-[(5-cyclopropyl-1,2-oxazol-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate SMR000093324 AKOS001498662 ethyl 2-{[(5-cyclopropylisoxazol-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate ST50677335 CHEMBL1573313 MLS002586378 ethyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate SR-01000122629 BDBM34498 MCULE-2581358496 ZINC2497988 2-[(5-cyclopropylisoxazole-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester cid_5307410 MolPort-006-844-094 [ Show all ]
Inchi Key	BIWJEFHETPCONI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20N2O4S/c1-2-23-18(22)15-11-5-3-4-6-14(11)25-17(15)19-16(21)12-9-13(24-20-12)10-7-8-10/h9-10H,2-8H2,1H3,(H,19,21)
PubChem CID	5307410
ChEMBL	CHEMBL1573313
IUPHAR	N/A
BindingDB	34498
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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