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	MLS001047411
Molecular formula	C19H14N2O3
IUPAC name	(5Z)-1-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione
Molecular weight	318.332
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.3
Synonyms	STK708166 (5Z)-1-phenyl-5-[(E)-3-phenylprop-2-enylidene]barbituric acid cid_910773 AC1LIT1N MolPort-002-139-068 (5Z)-1-phenyl-5-[(2E)-3-phenylprop-2-en-1-ylidene]pyrimidine-2,4,6(1H,3H,5H)-trione SR-01000200409 ZINC17027896 1-Phenyl-5-[(E)-3-phenyl-prop-2-en-(Z)-ylidene]-pyrimidine-2,4,6-trione AKOS003660840 SCHEMBL13164871 (5Z)-1-phenyl-5-[(E)-3-phenylprop-2-enylidene]-1,3-diazinane-2,4,6-trione CHEMBL1466699 SR-01000200409-1 94212-33-6 MolPort-000-813-920 BDBM60809 SMR000425420 [ Show all ]
Inchi Key	COXDMRSXWPMFJU-SBFJKYRKSA-N
Inchi ID	InChI=1S/C19H14N2O3/c22-17-16(13-7-10-14-8-3-1-4-9-14)18(23)21(19(24)20-17)15-11-5-2-6-12-15/h1-13H,(H,20,22,24)/b10-7+,16-13-
PubChem CID	910773
ChEMBL	CHEMBL1466699
IUPHAR	N/A
BindingDB	N/A
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
47077	Glucagon-like peptide 1 receptor	P43220	GLP1R	Homo sapiens (Human)	463
47076	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
47075	Neurotensin receptor type 1	P30989	NTSR1	Homo sapiens (Human)	418
468713	Parathyroid hormone/parathyroid hormone-related peptide receptor	Q03431	PTH1R	Homo sapiens (Human)	593

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