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	MLS000663547
Molecular formula	C17H16N6O5
IUPAC name	1-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-3-(4-nitrophenyl)urea
Molecular weight	384.352
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	1.3
Synonyms	HMS2697L23 SR-01000276120-1 MolPort-001-589-859 ZINC13153222 BDBM50480 CHEMBL1482308 SMR000294089 1-[4-(4-morpholinyl)-2,1,3-benzoxadiazol-7-yl]-3-(4-nitrophenyl)urea MCULE-5677428800 ST50833022 AC1MG3TB N-(7-morpholin-4-ylbenzo[2,3-c]1,2,5-oxadiazol-4-yl)[(4-nitrophenyl)amino]carb oxamide 1-(4-morpholin-4-yl-2,1,3-benzoxadiazol-7-yl)-3-(4-nitrophenyl)urea CHEBI:121801 cid_2955071 SR-01000276120 1-[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]-3-(4-nitrophenyl)urea STK466282 AKOS003324491 N-[7-(4-morpholinyl)-2,1,3-benzoxadiazol-4-yl]-N'-(4-nitrophenyl)urea 1-(7-morpholinobenzofurazan-4-yl)-3-(4-nitrophenyl)urea [ Show all ]
Inchi Key	BJJUETIRJVEVLQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H16N6O5/c24-17(18-11-1-3-12(4-2-11)23(25)26)19-13-5-6-14(16-15(13)20-28-21-16)22-7-9-27-10-8-22/h1-6H,7-10H2,(H2,18,19,24)
PubChem CID	2955071
ChEMBL	CHEMBL1482308
IUPHAR	N/A
BindingDB	50480
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
25204	Neurotensin receptor type 1	P30989	NTSR1	Homo sapiens (Human)	418

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