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

NameCHEMBL3939625
Molecular formulaC16H11Cl2N3O3S2
IUPAC nameN-[5-[(2,4-dichlorophenyl)methylsulfonyl]-1,3-thiazol-2-yl]pyridine-2-carboxamide
Molecular weight428.302
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.7
SynonymsSCHEMBL12182178
BDBM192833
US9192603, 6
Inchi KeyABKYTSSASLYMLC-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H11Cl2N3O3S2/c17-11-5-4-10(12(18)7-11)9-26(23,24)14-8-20-16(25-14)21-15(22)13-3-1-2-6-19-13/h1-8H,9H2,(H,20,21,22)
PubChem CID54670121
ChEMBLCHEMBL3939625
IUPHARN/A
BindingDB192833
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
517323Metabotropic glutamate receptor 4Q14833GRM4Homo sapiens (Human)912

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