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	SEW2871
Molecular formula	C20H10F6N2OS
IUPAC name	5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
Molecular weight	440.363
Hydrogen bond acceptor	10
Hydrogen bond donor	0
XlogP	6.6
Synonyms	FT-0080687 KB-41409 SCHEMBL436150 SR-01000695417-2 5-[4-Phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]1,2,4-oxadiazole B7001 CHEBI:92283 HMS3268H16 MolPort-000-146-354 ZINC2141876 5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl) phenyl]-1,2,4-oxadiazole ACM256414752 BRD-K15601958-001-02-1 CJ-32923 DB-006928 IN1083 RTC-030230 SR-01000695417 1445AH 5-[4-PHENYL-5-(TRIFLUOROMETHYL)THIEN-2-YL]-3-[3-(TRIFLUOROMETHYL)PHENYL]-1,2,4-OXADIAZOLE AN-5811 C20H10F6N2OS FT-0602670 MCULE-6471887459 SEW 2871 TC-030230 5-(4-Phenyl-5-(trifluoromethyl)thiophen-2-yl)-3-(3-(trifluoromethyl)phenyl)-1,2,4-oxadiazole BDBM50158345 HMS3649L06 NCGC00092356-01 SEW2871, >=98% (HPLC), solid 5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]- 1,2,4-oxadiazole AJ-33564 BS0178 CTK7B7082 DTXSID80399085 J-016085 S1P1 Receptor Agonist, SEW2871 SR-01000695417-1 256414-75-2 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole API0008462 CC-21023 GTPL2926 MFCD00096600 SEW-2871 TRA0003711 5-(4-Phenyl-5-trifluoromethylthiophen-2-yl)-3-(3-trifluoromethylphenyl)-(1,2,4)-oxadiazole AC1N2UY4 BRD-K15601958-001-01-3 CHEMBL224720 I14-58432 NCGC00092356-02 Sphingosine-1-Phosphate1 Receptor S1P1 Agonist 5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole AKOS015853139 C-27359 D0ZU0O [ Show all ]
Inchi Key	OYMNPJXKQVTQTR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H10F6N2OS/c21-19(22,23)13-8-4-7-12(9-13)17-27-18(29-28-17)15-10-14(11-5-2-1-3-6-11)16(30-15)20(24,25)26/h1-10H
PubChem CID	4077460
ChEMBL	CHEMBL224720
IUPHAR	2926
BindingDB	50158345
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
253386	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
554521	Sphingosine 1-phosphate receptor 1	O08530	S1pr1	Mus musculus (Mouse)	382
253388	Sphingosine 1-phosphate receptor 2	O95136	S1PR2	Homo sapiens (Human)	353
253387	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378
253385	Sphingosine 1-phosphate receptor 4	O95977	S1PR4	Homo sapiens (Human)	384
253390	Sphingosine 1-phosphate receptor 5	Q9H228	S1PR5	Homo sapiens (Human)	398

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