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

NameCHEMBL3718187
Molecular formulaC28H24N4O5S
IUPAC name2-methoxy-6-[6-methoxy-4-[[3-(6-methoxy-4-methylpyridin-3-yl)phenyl]methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
Molecular weight528.583
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP5.9
SynonymsBDBM286435
SCHEMBL15362930
US9518064, Example 51
Inchi KeyCGRKBQDIYCYQDR-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H24N4O5S/c1-16-8-26(34-3)29-13-21(16)18-7-5-6-17(9-18)15-36-23-10-19(33-2)11-24-20(23)12-25(37-24)22-14-32-27(30-22)38-28(31-32)35-4/h5-14H,15H2,1-4H3
PubChem CID72189339
ChEMBLCHEMBL3718187
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
522764Proteinase-activated receptor 4Q96RI0F2RL3Homo sapiens (Human)385

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