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	N-(1H-benzimidazol-2-yl)-4-methoxybenzamide
Molecular formula	C15H13N3O2
IUPAC name	N-(1H-benzimidazol-2-yl)-4-methoxybenzamide
Molecular weight	267.288
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.7
Synonyms	N-(1H-Benzoimidazole-2-yl)-4-methoxybenzamide ZINC5981936 MCULE-9350707545 SCHEMBL11207978 N-(1H-1,3-benzodiazol-2-yl)-4-methoxybenzamide STK375356 AKOS001037657 CHEMBL1604245 N-benzimidazol-2-yl(4-methoxyphenyl)carboxamide MLS001177369 SMR000591554 55842-43-8 Z27666190 BDBM50067175 HMS2889P23 Oprea1_608897 MolPort-001-489-097 ST50440475 AC1M0PXB [ Show all ]
Inchi Key	RZINPPBIIPUBKX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C15H13N3O2/c1-20-11-8-6-10(7-9-11)14(19)18-15-16-12-4-2-3-5-13(12)17-15/h2-9H,1H3,(H2,16,17,18,19)
PubChem CID	2081294
ChEMBL	CHEMBL1604245
IUPHAR	N/A
BindingDB	50067175
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
308791	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
453957	Metabotropic glutamate receptor 5	Q3UVX5	Grm5	Mus musculus (Mouse)	1203

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