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

NameCHEMBL1510429
Molecular formulaC17H18N2O4S
IUPAC nameN-(4-ethoxyphenyl)-5-ethylsulfonyl-1,3-benzoxazol-2-amine
Molecular weight346.401
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.6
SynonymsAB00648470-07
MLS001006658
BDBM50365415
NCGC00274360-01
728892-99-7
[ Show all ]
Inchi KeyRTAHDXWBBOXUTR-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H18N2O4S/c1-3-22-13-7-5-12(6-8-13)18-17-19-15-11-14(24(20,21)4-2)9-10-16(15)23-17/h5-11H,3-4H2,1-2H3,(H,18,19)
PubChem CID2387945
ChEMBLCHEMBL1510429
IUPHARN/A
BindingDB50365415
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
304367Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
304368Neuropeptide Y receptor type 5O70342Npy5rMus musculus (Mouse)466
500531Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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