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:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL2391273
Molecular formula	C26H21BrFN3O3
IUPAC name	N-(4-bromophenyl)-2-[3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-6-oxopyridazin-1-yl]acetamide
Molecular weight	522.374
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	5.0
Synonyms	BDBM50435919 SCHEMBL18015791
Inchi Key	QNQOZSCNEPIKND-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H21BrFN3O3/c1-34-23-12-2-17(3-13-23)14-19-15-24(18-4-8-21(28)9-5-18)30-31(26(19)33)16-25(32)29-22-10-6-20(27)7-11-22/h2-13,15H,14,16H2,1H3,(H,29,32)
PubChem CID	71698796
ChEMBL	CHEMBL2391273
IUPHAR	N/A
BindingDB	50435919
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
282577	fMet-Leu-Phe receptor	P21462	FPR1	Homo sapiens (Human)	350
282578	N-formyl peptide receptor 2	P25090	FPR2	Homo sapiens (Human)	351
282579	N-formyl peptide receptor 3	P25089	FPR3	Homo sapiens (Human)	353

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