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	N-formyl peptide receptor 2
Species	Homo sapiens (Human)
Gene	FPR2
Synonym	FPRH1 FPRH2 FPRL1 HM63 Lipoxin A4 receptor LXA4 receptor LXA4R FPR2A FPR2/ALX Fpr-rs2 ALX ALX/FPR2 ALXR FMLP-R-I FMLP-related receptor I FMLPX formyl peptide receptor 2 formyl peptide receptor, related sequence 2 Formyl peptide receptor-like 1 RFP [ Show all ]
Disease	N/A
Length	351
Amino acid sequence	METNFSTPLNEYEEVSYESAGYTVLRILPLVVLGVTFVLGVLGNGLVIWVAGFRMTRTVTTICYLNLALADFSFTATLPFLIVSMAMGEKWPFGWFLCKLIHIVVDINLFGSVFLIGFIALDRCICVLHPVWAQNHRTVSLAMKVIVGPWILALVLTLPVFLFLTTVTIPNGDTYCTFNFASWGGTPEERLKVAITMLTARGIIRFVIGFSLPMSIVAICYGLIAAKIHKKGMIKSSRPLRVLTAVVASFFICWFPFQLVALLGTVWLKEMLFYGKYKIIDILVNPTSSLAFFNSCLNPMLYVFVGQDFRERLIHSLPTSLERALSEDSAPTNDTAANSASPPAETELQAM
UniProt	P25090
Protein Data Bank	N/A
GPCR-HGmod model	P25090
3D structure model	This predicted structure model is from GPCR-EXP P25090.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4227
IUPHAR	223
DrugBank	N/A

Ligand

Name	BDBM40419
Molecular formula	C25H25N3O5
IUPAC name	4-benzoyl-5-(2,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-dione
Molecular weight	447.491
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	2.5
Synonyms	cid_5941053 (4E)-5-(2,4-dimethoxyphenyl)-1-(3-imidazol-1-ylpropyl)-4-[oxidanyl(phenyl)methylidene]pyrrolidine-2,3-dione (4E)-5-(2,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylene]-1-(3-imidazol-1-ylpropyl)pyrrolidine-2,3-quinone (4E)-5-(2,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]-1-[3-(1-imidazolyl)propyl]pyrrolidine-2,3-dione
Inchi Key	CBNGMSIWABYHTM-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H25N3O5/c1-32-18-9-10-19(20(15-18)33-2)22-21(23(29)17-7-4-3-5-8-17)24(30)25(31)28(22)13-6-12-27-14-11-26-16-27/h3-5,7-11,14-16,21-22H,6,12-13H2,1-2H3
PubChem CID	91896453
ChEMBL	N/A
IUPHAR	N/A
BindingDB	40419
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	<40300.0 nM	N/A	BindingDB

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