Zhang Lab

University of Michigan

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 ●DMFold ●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	CHEMBL2391443
Molecular formula	C20H17ClIN3O2
IUPAC name	2-[5-[(3-chlorophenyl)methyl]-3-methyl-6-oxopyridazin-1-yl]-N-(4-iodophenyl)acetamide
Molecular weight	493.729
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.9
Synonyms	SCHEMBL18015879 BDBM50435900
Inchi Key	PSLAZNCKJKOLBS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H17ClIN3O2/c1-13-9-15(10-14-3-2-4-16(21)11-14)20(27)25(24-13)12-19(26)23-18-7-5-17(22)6-8-18/h2-9,11H,10,12H2,1H3,(H,23,26)
PubChem CID	71699139
ChEMBL	CHEMBL2391443
IUPHAR	N/A
BindingDB	50435900
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
267694	fMet-Leu-Phe receptor	P21462	FPR1	Homo sapiens (Human)	350
267696	N-formyl peptide receptor 2	P25090	FPR2	Homo sapiens (Human)	351
267695	N-formyl peptide receptor 3	P25089	FPR3	Homo sapiens (Human)	353

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218