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	MLS000723451
Molecular formula	C13H10N4O3
IUPAC name	3-nitro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
Molecular weight	270.248
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	1.9
Synonyms	3-nitro-N-(pyridin-2-ylmethylideneamino)benzamide CHEBI:105473 SMR000305046 3-NITRO-BENZOIC ACID PYRIDIN-2-YLMETHYLENE-HYDRAZIDE AC1NSTV7 cid_775111 3-nitro-N-(2-pyridinylmethylideneamino)benzamide BIM-0020931.P001 MolPort-004-635-155 3-nitro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide ST50560660 3-nitro-N'-[(1E)-pyridin-2-ylmethylene]benzohydrazide AKOS001424105 3-nitro-N-(2-pyridylmethyleneamino)benzamide CCG-8782 N-((1E)-2-(2-pyridyl)-1-azavinyl)(3-nitrophenyl)carboxamide CHEMBL2005961 STK413505 3-nitro-N'-[(E)-pyridin-2-ylmethylidene]benzohydrazide BDBM60251 MolPort-000-873-527 [ Show all ]
Inchi Key	BDIPDGBKQLKZNG-OQLLNIDSSA-N
Inchi ID	InChI=1S/C13H10N4O3/c18-13(10-4-3-6-12(8-10)17(19)20)16-15-9-11-5-1-2-7-14-11/h1-9H,(H,16,18)/b15-9+
PubChem CID	5339648
ChEMBL	CHEMBL2005961
IUPHAR	N/A
BindingDB	60251
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
20961	Apelin receptor	P35414	APLNR	Homo sapiens (Human)	380
20960	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
20959	Kappa-type opioid receptor	P41145	OPRK1	Homo sapiens (Human)	380
20962	Type-1 angiotensin II receptor	P30556	AGTR1	Homo sapiens (Human)	359

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