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

NameCHEMBL152348
Molecular formulaC25H20ClN3O4S
IUPAC nameN-[(E)-[4-[[2-(1-benzothiophen-3-yl)acetyl]amino]-3-methoxyphenyl]methylideneamino]-3-chloro-4-hydroxybenzamide
Molecular weight493.962
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.9
SynonymsBDBM50122115
2-Benzo[b]thiophen-3-yl-N-{4-[(3-chloro-4-hydroxy-benzoyl)-hydrazonomethyl]-2-methoxy-phenyl}-acetamide
Inchi KeyCBBZAZSQKGEJOQ-UVHMKAGCSA-N
Inchi IDInChI=1S/C25H20ClN3O4S/c1-33-22-10-15(13-27-29-25(32)16-7-9-21(30)19(26)11-16)6-8-20(22)28-24(31)12-17-14-34-23-5-3-2-4-18(17)23/h2-11,13-14,30H,12H2,1H3,(H,28,31)(H,29,32)/b27-13+
PubChem CID44369100
ChEMBLCHEMBL152348
IUPHARN/A
BindingDB50122115
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
37716Glucagon receptorP47871GCGRHomo sapiens (Human)477

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