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	SR-02000000239
Molecular formula	C19H16ClNO2
IUPAC name	5-(3-chlorophenyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide
Molecular weight	325.792
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	5.2
Synonyms	BDBM62395 SR-02000000239-1 5-(3-chlorophenyl)-N-(2,6-dimethylphenyl)-2-furancarboxamide cid_878124 AC1LGWV4 Oprea1_850793 ZINC447531 5-(3-chlorophenyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide MCULE-2028466521 AKOS002709427 5-(3-chlorophenyl)-N-(2,6-dimethylphenyl)-2-furamide CHEMBL1354080 MolPort-000-227-236 [ Show all ]
Inchi Key	CMIVNSUOASYQSC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H16ClNO2/c1-12-5-3-6-13(2)18(12)21-19(22)17-10-9-16(23-17)14-7-4-8-15(20)11-14/h3-11H,1-2H3,(H,21,22)
PubChem CID	878124
ChEMBL	CHEMBL1354080
IUPHAR	N/A
BindingDB	62395
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
45365	Sphingosine 1-phosphate receptor 1	P21453	S1PR1	Homo sapiens (Human)	382
45363	Sphingosine 1-phosphate receptor 2	O95136	S1PR2	Homo sapiens (Human)	353
45362	Sphingosine 1-phosphate receptor 3	Q99500	S1PR3	Homo sapiens (Human)	378
45361	Sphingosine 1-phosphate receptor 4	O95977	S1PR4	Homo sapiens (Human)	384
45364	Sphingosine 1-phosphate receptor 5	Q9H228	S1PR5	Homo sapiens (Human)	398

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