Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameCHEMBL3717785
Molecular formulaC23H14Cl2N4O3S2
IUPAC name6-[6-chloro-4-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy]-1-benzofuran-2-yl]-2-methoxyimidazo[2,1-b][1,3,4]thiadiazole
Molecular weight529.41
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP6.7
SynonymsSCHEMBL15357296
BDBM176155
US9688695, 188
Inchi KeyAAGYCSOFLAYZMI-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H14Cl2N4O3S2/c1-30-23-28-29-9-17(27-22(29)34-23)20-8-16-18(6-14(25)7-19(16)32-20)31-10-15-11-33-21(26-15)12-2-4-13(24)5-3-12/h2-9,11H,10H2,1H3
PubChem CID89879364
ChEMBLCHEMBL3717785
IUPHARN/A
BindingDB176155
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
521446Proteinase-activated receptor 4Q96RI0F2RL3Homo sapiens (Human)385

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