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	MLS000702659
Molecular formula	C13H16N2O3
IUPAC name	4-[3-methyl-4-[(Z)-2-nitroethenyl]phenyl]morpholine
Molecular weight	248.282
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	2.3
Synonyms	4-[3-methyl-4-[(Z)-2-nitroethenyl]phenyl]morpholine HMS2595D06 AC1LWRCJ ZINC4457206 CHEMBL1310644 4-[3-methyl-4-[(Z)-2-nitrovinyl]phenyl]morpholine BDBM79545 4-(4-{2-nitrovinyl}-3-methylphenyl)morpholine cid_1782673 SMR000226523 [ Show all ]
Inchi Key	CWWALEMHFPAAPJ-PLNGDYQASA-N
Inchi ID	InChI=1S/C13H16N2O3/c1-11-10-13(14-6-8-18-9-7-14)3-2-12(11)4-5-15(16)17/h2-5,10H,6-9H2,1H3/b5-4-
PubChem CID	1782673
ChEMBL	CHEMBL1310644
IUPHAR	N/A
BindingDB	79545
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
52485	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
52486	Neurotensin receptor type 1	P30989	NTSR1	Homo sapiens (Human)	418
469377	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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