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	AC1LDCDS
Molecular formula	C14H15N3O2
IUPAC name	1-[2-(2-methoxyanilino)-4-methylpyrimidin-5-yl]ethanone
Molecular weight	257.293
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.1
Synonyms	669718-70-1 MLS000080612 1-[2-(2-methoxyanilino)-4-methyl-5-pyrimidinyl]-1-ethanone AKOS022104109 SMR000037463 1-{2-[(2-methoxyphenyl)amino]-4-methylpyrimidin-5-yl}ethanone HMS2185J09 STL312266 MolPort-000-472-764 1-[2-(2-methoxyanilino)-4-methylpyrimidin-5-yl]ethanone ST50107403 5-acetyl-2-[(2-methoxyphenyl)amino]-4-methylpyrimidine MCULE-9403281378 ZINC545465 AKOS002234629 MolPort-027-848-375 1-{(2Z)-2-[(2-methoxyphenyl)imino]-6-methyl-1,2-dihydropyrimidin-5-yl}ethanone CHEMBL1477925 STK181804 [ Show all ]
Inchi Key	AEWFPNUYMVQOOL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H15N3O2/c1-9-11(10(2)18)8-15-14(16-9)17-12-6-4-5-7-13(12)19-3/h4-8H,1-3H3,(H,15,16,17)
PubChem CID	664787
ChEMBL	CHEMBL1477925
IUPHAR	N/A
BindingDB	N/A
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
3908	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463

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