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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	MLS000057035
Molecular formula	C21H15N5O
IUPAC name	N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)benzamide
Molecular weight	353.385
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.6
Synonyms	N-(1-allyl-3-cyano-pyrrolo[3,2-b]quinoxalin-2-yl)benzamide SR-01000027334 AKOS034452984 CHEMBL1446025 N-(3-cyano-1-prop-2-enylpyrrolo[3,2-b]quinoxalin-2-yl)benzamide ZINC3169520 SCHEMBL4787360 AB00424030-03 N-(3-cyano-1-prop-2-enyl-2-pyrrolo[3,2-b]quinoxalinyl)benzamide SR-01000027334-1 BDBM37679 cid_2309631 N-[3-cyano-1-(prop-2-en-1-yl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]benzamide 302937-18-4 MolPort-003-995-352 SMR000060389 AC1M4KGV N-(3-cyano-1-prop-2-enyl-pyrrolo[3,2-b]quinoxalin-2-yl)benzamide Z56775942 MCULE-5212980007 Oprea1_370760 [ Show all ]
Inchi Key	BSGMDKVANZZYAC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H15N5O/c1-2-12-26-19(25-21(27)14-8-4-3-5-9-14)15(13-22)18-20(26)24-17-11-7-6-10-16(17)23-18/h2-11H,1,12H2,(H,25,27)
PubChem CID	2309631
ChEMBL	CHEMBL1446025
IUPHAR	N/A
BindingDB	37679
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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