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-nitrobenzamide
Molecular formula	C14H10N4O3
IUPAC name	N-(1H-benzimidazol-2-yl)-4-nitrobenzamide
Molecular weight	282.259
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.6
Synonyms	N-benzimidazol-2-yl(4-nitrophenyl)carboxamide ZINC2740281 5-25-10-00375 (Beilstein Handbook Reference) Cambridge id 7252431 LS-25732 MolPort-001-494-581 Oprea1_367170 AKOS001311283 cid_3761604 N-(1H-Benzoimidazole-2-yl)-4-nitrobenzamide ST50918022 Benzamide,N-1H-benzimidazol-2-yl-4-nitro- HMS2662J08 NCGC00245660-01 MCULE-7589535949 N-(1H-benzimidazol-2-yl)-4-nitro-benzamide SCHEMBL16562030 BDBM95957 CTK4H7270 STK433602 36855-68-2 BRN 0962363 KB-298149 Oprea1_287682 AC1MX8EJ CHEMBL1375571 MLS000680654 N-(1H-benzimidazol-2-yl)-4-nitrobenzamide SMR000272233 Benzamide, N-1H-benzimidazol-2-yl-4-nitro- DTXSID40190338 [ Show all ]
Inchi Key	ATJLQYUJQCDLFC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H10N4O3/c19-13(9-5-7-10(8-6-9)18(20)21)17-14-15-11-3-1-2-4-12(11)16-14/h1-8H,(H2,15,16,17,19)
PubChem CID	3761604
ChEMBL	CHEMBL1375571
IUPHAR	N/A
BindingDB	95957
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
442195	Metabotropic glutamate receptor 5	Q3UVX5	Grm5	Mus musculus (Mouse)	1203

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