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GLASS

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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	BDBM37716
Molecular formula	C14H14N4OS2
IUPAC name	6-imino-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrano[2,3-c]pyrazole-5-carbonitrile
Molecular weight	318.413
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.5
Synonyms	6-amino-4-[2-(methylthio)ethyl]-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile cid_3239805 6-azanyl-4-(2-methylsulfanylethyl)-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-amino-4-[2-(methylthio)ethyl]-3-(2-thienyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Inchi Key	ATGXFIFSVOAEFS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H14N4OS2/c1-20-6-4-8-9(7-15)13(16)19-14-11(8)12(17-18-14)10-3-2-5-21-10/h2-3,5,8-9,16H,4,6H2,1H3,(H,17,18)
PubChem CID	91896330
ChEMBL	N/A
IUPHAR	N/A
BindingDB	37716
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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