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 DMFold 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

You can:

Ligand

NameCHEMBL1956846
Molecular formulaC16H13F3N2O4S
IUPAC name5-ethylsulfonyl-N-[4-(trifluoromethoxy)phenyl]-1,3-benzoxazol-2-amine
Molecular weight386.345
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP4.4
SynonymsAKOS034214483
ZINC12540723
NCGC00282441-01
BDBM50365423
1090351-46-4
[ Show all ]
Inchi KeyPDDVJXJUKUXLDQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H13F3N2O4S/c1-2-26(22,23)12-7-8-14-13(9-12)21-15(24-14)20-10-3-5-11(6-4-10)25-16(17,18)19/h3-9H,2H2,1H3,(H,20,21)
PubChem CID25346026
ChEMBLCHEMBL1956846
IUPHARN/A
BindingDB50365423
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
256837Neuropeptide Y receptor type 5O70342Npy5rMus musculus (Mouse)466

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218