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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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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	CHEMBL1934418
Molecular formula	C23H34N4O3S2
IUPAC name	N-[(2S)-3,3-dimethylbutan-2-yl]-3-methyl-5-[(4-methylphenyl)sulfonylamino]-1-(thian-4-yl)pyrazole-4-carboxamide
Molecular weight	478.67
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	4.9
Synonyms	BDBM50419565
Inchi Key	CMBDQWHWALXRNJ-KRWDZBQOSA-N
Inchi ID	InChI=1S/C23H34N4O3S2/c1-15-7-9-19(10-8-15)32(29,30)26-21-20(22(28)24-17(3)23(4,5)6)16(2)25-27(21)18-11-13-31-14-12-18/h7-10,17-18,26H,11-14H2,1-6H3,(H,24,28)/t17-/m0/s1
PubChem CID	57396149
ChEMBL	CHEMBL1934418
IUPHAR	N/A
BindingDB	50419565
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	39.81 nM	PMID22094028	ChEMBL
IC50	40.0 nM	PMID22094028	BindingDB

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