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

You can:

Ligand

NameCHEMBL324304
Molecular formulaC23H27N3O4S
IUPAC name4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide
Molecular weight441.546
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.3
SynonymsSCHEMBL9044621
BDBM50105031
N-[5-(4-Methylphenyl)-6-(2-hydroxyethoxy)-4-pyrimidinyl]-4-tert-butylbenzenesulfonamide
4-tert-Butyl-N-[6-(2-hydroxy-ethoxy)-5-p-tolyl-pyrimidin-4-yl]-benzenesulfonamide
Inchi KeyALQRUULAVXAWSN-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27N3O4S/c1-16-5-7-17(8-6-16)20-21(24-15-25-22(20)30-14-13-27)26-31(28,29)19-11-9-18(10-12-19)23(2,3)4/h5-12,15,27H,13-14H2,1-4H3,(H,24,25,26)
PubChem CID12060119
ChEMBLCHEMBL324304
IUPHARN/A
BindingDB50105031
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
8512Endothelin-1 receptorQ29010EDNRASus scrofa (Pig)427

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