Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

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	CHEMBL2391262
Molecular formula	C25H21N3O5S
IUPAC name	N-(1,3-benzodioxol-5-yl)-2-[5-[(3-methoxyphenyl)methyl]-6-oxo-3-thiophen-2-ylpyridazin-1-yl]acetamide
Molecular weight	475.519
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.1
Synonyms	BDBM50435930
Inchi Key	XYHVOCYINSAYHT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H21N3O5S/c1-31-19-5-2-4-16(11-19)10-17-12-20(23-6-3-9-34-23)27-28(25(17)30)14-24(29)26-18-7-8-21-22(13-18)33-15-32-21/h2-9,11-13H,10,14-15H2,1H3,(H,26,29)
PubChem CID	71698622
ChEMBL	CHEMBL2391262
IUPHAR	N/A
BindingDB	50435930
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	<50000.0 nM	PMID23685570	ChEMBL

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417