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-benzo[d]imidazol-2-yl)-3-nitrobenzamide
Molecular formula	C14H10N4O3
IUPAC name	N-(1H-benzimidazol-2-yl)-3-nitrobenzamide
Molecular weight	282.259
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.6
Synonyms	AKOS001825502 KB-78995 N-1,3-dihydro-2H-benzimidazol-2-ylidene-3-nitrobenzamide STK433528 MolPort-001-543-036 Oprea1_384876 3-nitro-N-(1H-benzoimidazol-2-yl)-benzamide CS-M1436 N-(1H-benzimidazol-2-yl)-3-nitrobenzamide SMR000264931 AC1MTB3N BDBM50184701 MCULE-1403873826 N-benzimidazol-2-yl(3-nitrophenyl)carboxamide Z27666143 CHEMBL210658 MolPort-007-653-805 QPKROMNIEAEFQA-UHFFFAOYSA-N 301675-24-1 D02JIL ST50927847 AKOS001141441 Cambridge id 7283005 MLS000418401 Oprea1_144350 ZINC5033955 CS-13909 N-(1H-1,3-benzodiazol-2-yl)-3-nitrobenzamide SCHEMBL3597174 [ Show all ]
Inchi Key	QPKROMNIEAEFQA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H10N4O3/c19-13(9-4-3-5-10(8-9)18(20)21)17-14-15-11-6-1-2-7-12(11)16-14/h1-8H,(H2,15,16,17,19)
PubChem CID	3572750
ChEMBL	CHEMBL210658
IUPHAR	N/A
BindingDB	50184701
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
452874	Metabotropic glutamate receptor 5	Q3UVX5	Grm5	Mus musculus (Mouse)	1203

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