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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	UNM000003612901
Molecular formula	C20H19NO2S
IUPAC name	4-(3-methylphenyl)-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
Molecular weight	337.437
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.7
Synonyms	BAS 14393591 MCULE-8533975758 4-(3-methylphenyl)-7-thien-2-yl-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione CHEMBL1559320 STK406650 AKOS000664770 HMS1497B15 4-(3-methylphenyl)-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione BDBM40455 MolPort-000-915-530 4-(3-methylphenyl)-7-thiophen-2-yl-1,3,4,6,7,8-hexahydroquinoline-2,5-dione ChemDiv3_008485 7-Thiophen-2-yl-4-m-tolyl-4,6,7,8-tetrahydro-1H,3H-quinoline-2,5-dione AKOS022032725 IDI1_026395 4-(3-methylphenyl)-7-(thiophen-2-yl)-4,6,7,8-tetrahydroquinoline-2,5(1H,3H)-dione ST50318226 4-(m-tolyl)-7-(2-thienyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-quinone AC1O5RPP cid_6462587 [ Show all ]
Inchi Key	AODLUYOBLGFFGE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H19NO2S/c1-12-4-2-5-13(8-12)15-11-19(23)21-16-9-14(10-17(22)20(15)16)18-6-3-7-24-18/h2-8,14-15H,9-11H2,1H3,(H,21,23)
PubChem CID	6462587
ChEMBL	CHEMBL1559320
IUPHAR	N/A
BindingDB	40455
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	<44300.0 nM	N/A	BindingDB
KI_MICROM	<44.3 um	PubChem BioAssay data set	ChEMBL

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