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	5-chloro-2-(ethylsulfonyl)-N-(4-methoxybenzyl)pyrimidine-4-carboxamide
Molecular formula	C15H16ClN3O4S
IUPAC name	5-chloro-2-ethylsulfonyl-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
Molecular weight	369.82
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	1.8
Synonyms	D053-0121 [5-chloro-2-(ethylsulfonyl)pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]carboxam ide 5-chloro-2-ethylsulfonyl-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide MolPort-000-399-126 STL201181 HMS1918M05 AC1MGJQT NCGC00141443-01 CHEMBL1567968 ZINC4840338 MCULE-2276105144 AKOS001872834 ST50174559 [ Show all ]
Inchi Key	AAMOBSKLPUOLJX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H16ClN3O4S/c1-3-24(21,22)15-18-9-12(16)13(19-15)14(20)17-8-10-4-6-11(23-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,17,20)
PubChem CID	2987176
ChEMBL	CHEMBL1567968
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
339	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463

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