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	CHEMBL75827
Molecular formula	C23H19F3N4O2S
IUPAC name	N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-4-(trifluoromethyl)benzenesulfonamide
Molecular weight	472.486
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	5.0
Synonyms	BDBM50103701 N-[4-(5-Amino-1-p-tolyl-1H-pyrazol-3-yl)-phenyl]-4-trifluoromethyl-benzenesulfonamide 1-p-Tolyl-3-[4-[4-(trifluoromethyl)phenylsulfonylamino]phenyl]-1H-pyrazole-5-amine
Inchi Key	AMCDXJQVSVQTRW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H19F3N4O2S/c1-15-2-10-19(11-3-15)30-22(27)14-21(28-30)16-4-8-18(9-5-16)29-33(31,32)20-12-6-17(7-13-20)23(24,25)26/h2-14,29H,27H2,1H3
PubChem CID	44312968
ChEMBL	CHEMBL75827
IUPHAR	N/A
BindingDB	50103701
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
8737	Neuropeptide Y receptor type 5	Q15761	NPY5R	Homo sapiens (Human)	445

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