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	CHEMBL341108
Molecular formula	C19H18FNO2S
IUPAC name	1'-(4-fluorophenyl)sulfonylspiro[indene-1,4'-piperidine]
Molecular weight	343.416
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	3.9
Synonyms	1'-((4-Fluorophenyl)sulfonyl)spiro(1H-indene-1,4'-piperidine) BDBM50001410 1-[(4-Fluorophenyl)sulfonyl]spiro[piperidine-4,1'-[1H]indene] CFQNGTXFPLMLDT-UHFFFAOYSA-N 1''-(4-fluorophenylsulfonyl)spiro[1H-indene-1,4''-(hexahydropyridine)] ZINC13728205 [ Show all ]
Inchi Key	CFQNGTXFPLMLDT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H18FNO2S/c20-16-5-7-17(8-6-16)24(22,23)21-13-11-19(12-14-21)10-9-15-3-1-2-4-18(15)19/h1-10H,11-14H2
PubChem CID	9997556
ChEMBL	CHEMBL341108
IUPHAR	N/A
BindingDB	50001410
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
40891	Oxytocin receptor	P70536	Oxtr	Rattus norvegicus (Rat)	388

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