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

NameCHEMBL402942
Molecular formulaC22H23FN4O4S
IUPAC name4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2-methoxyethylsulfamoyl)butanamide
Molecular weight458.508
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.5
Synonyms4-[5-cyano-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyethyl)sulfamoyl]butanamide
BDBM50236302
Inchi KeyCCQIMWXDQUFPQD-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H23FN4O4S/c1-31-12-11-25-32(29,30)27-21(28)4-2-3-18-19-13-15(14-24)5-10-20(19)26-22(18)16-6-8-17(23)9-7-16/h5-10,13,25-26H,2-4,11-12H2,1H3,(H,27,28)
PubChem CID44447937
ChEMBLCHEMBL402942
IUPHARN/A
BindingDB50236302
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
38853C-X-C chemokine receptor type 2P25025CXCR2Homo sapiens (Human)360

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417