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	MLS000572338
Molecular formula	C17H11F6NO
IUPAC name	(E)-N,3-bis[3-(trifluoromethyl)phenyl]prop-2-enamide
Molecular weight	359.271
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	5.4
Synonyms	BDBM57460 (E)-N,3-bis[3-(trifluoromethyl)phenyl]-2-propenamide CB07680 SMR000194299 AC1LQLA9 cid_1352451 STK949790 (2E)-3-[3-(trifluoromethyl)phenyl]-N-[3-(trifluoromethyl)phenyl]prop-2-enamide BIM-0005507.P001 MolPort-000-304-734 (E)-N,3-bis[3-(trifluoromethyl)phenyl]acrylamide SMSF0014921 ZINC1191257 AKOS002187713 HMS2471J03 (2E)-N,3-bis[3-(trifluoromethyl)phenyl]prop-2-enamide BRD-K42830622-001-09-4 N,3-bis[3-(trifluoromethyl)phenyl]acrylamide (E)-N,3-bis[3-(trifluoromethyl)phenyl]prop-2-enamide CHEMBL1418598 ST50078690 [ Show all ]
Inchi Key	HKWNCYKBLBCUHP-BQYQJAHWSA-N
Inchi ID	InChI=1S/C17H11F6NO/c18-16(19,20)12-4-1-3-11(9-12)7-8-15(25)24-14-6-2-5-13(10-14)17(21,22)23/h1-10H,(H,24,25)/b8-7+
PubChem CID	1352451
ChEMBL	CHEMBL1418598
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

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
117577	Lutropin-choriogonadotropic hormone receptor	P22888	LHCGR	Homo sapiens (Human)	699
117576	Neuropeptide S receptor	Q6W5P4	NPSR1	Homo sapiens (Human)	371
117575	Thyrotropin receptor	P16473	TSHR	Homo sapiens (Human)	764

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