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

NameCHEMBL3797948
Molecular formulaC24H22ClN3O5S
IUPAC name4-tert-butyl-N-[7-chloro-2-(6-methoxypyridin-3-yl)-1,3-dioxoisoindol-4-yl]benzenesulfonamide
Molecular weight499.966
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.1
SynonymsSCHEMBL16862980
Inchi KeyFDNHELFSRJUTAS-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22ClN3O5S/c1-24(2,3)14-5-8-16(9-6-14)34(31,32)27-18-11-10-17(25)20-21(18)23(30)28(22(20)29)15-7-12-19(33-4)26-13-15/h5-13,27H,1-4H3
PubChem CID118197461
ChEMBLCHEMBL3797948
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
523763C-C chemokine receptor type 9P51686CCR9Homo sapiens (Human)369

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