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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	2-[(4-bromophenyl)carbamoyl]cyclohexane-1-carboxylic acid
Molecular formula	C14H16BrNO3
IUPAC name	2-[(4-bromophenyl)carbamoyl]cyclohexane-1-carboxylic acid
Molecular weight	326.19
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.9
Synonyms	4'-BROMOHEXAHYDROPHTHALANILIC ACID SCHEMBL7824367 AC1Q74G1 EU-0038884 ST50001277 2-(4-Bromo-phenylcarbamoyl)-cyclohexanecarboxylic acid BAS 00329179 NSC203853 2-[(4-bromophenyl)carbamoyl]cyclohexanecarboxylic acid CHEMBL1560428 SR-01000439302 AKOS000735627 MCULE-5934022267 UNM000003532301 2-[(4-bromoanilino)-oxomethyl]-1-cyclohexanecarboxylic acid BDBM40403 Oprea1_351232 2-[N-(4-bromophenyl)carbamoyl]cyclohexanecarboxylic acid AC1L78C9 cid_306178 SR-01000439302-1 AKOS016196688 NSC-203853 [ Show all ]
Inchi Key	DHUJMLNQJBLMFX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H16BrNO3/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(18)19/h5-8,11-12H,1-4H2,(H,16,17)(H,18,19)
PubChem CID	306178
ChEMBL	CHEMBL1560428
IUPHAR	N/A
BindingDB	40403
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	15700.0 nM	N/A	BindingDB
Ki	10300.0 nM	N/A	BindingDB
KI_MICROM	10.3 um	PubChem BioAssay data set	ChEMBL

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