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

NameCHEMBL1956927
Molecular formulaC19H22N2O4S
IUPAC name5-tert-butylsulfonyl-N-(4-ethoxyphenyl)-1,3-benzoxazol-2-amine
Molecular weight374.455
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.2
SynonymsBDBM50365401
Inchi KeyPCJHTSIZCDAHDG-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H22N2O4S/c1-5-24-14-8-6-13(7-9-14)20-18-21-16-12-15(10-11-17(16)25-18)26(22,23)19(2,3)4/h6-12H,5H2,1-4H3,(H,20,21)
PubChem CID57403511
ChEMBLCHEMBL1956927
IUPHARN/A
BindingDB50365401
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
256353Neuropeptide Y receptor type 5O70342Npy5rMus musculus (Mouse)466

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