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	CID 49797317
Molecular formula	C14H18N2O6
IUPAC name	(E)-but-2-enedioic acid;N,N-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)oxy]but-2-yn-1-amine
Molecular weight	310.306
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	None
Synonyms	N/A
Inchi Key	AJENPBREDFYWBC-WLHGVMLRSA-N
Inchi ID	InChI=1S/C10H14N2O2.C4H4O4/c1-9-8-10(11-14-9)13-7-5-4-6-12(2)3;5-3(6)1-2-4(7)8/h8H,6-7H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
PubChem CID	49797317
ChEMBL	CHEMBL239017
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

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
6833	Muscarinic acetylcholine receptor M1	P11229	CHRM1	Homo sapiens (Human)	460
6835	Muscarinic acetylcholine receptor M2	P08172	CHRM2	Homo sapiens (Human)	466
441971	Muscarinic acetylcholine receptor M3	P20309	CHRM3	Homo sapiens (Human)	590
6834	Muscarinic acetylcholine receptor M4	P08173	CHRM4	Homo sapiens (Human)	479
6836	Muscarinic acetylcholine receptor M5	P08912	CHRM5	Homo sapiens (Human)	532

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