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

NameCHEMBL1256403
Molecular formulaC16H14ClNOS
IUPAC name1-(1,3-benzothiazol-2-yl)-1-(4-chloro-2-methylphenyl)ethanol
Molecular weight303.804
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.4
SynonymsBDBM50416876
Inchi KeyDTSMWLQTKIUCPK-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H14ClNOS/c1-10-9-11(17)7-8-12(10)16(2,19)15-18-13-5-3-4-6-14(13)20-15/h3-9,19H,1-2H3
PubChem CID52946369
ChEMBLCHEMBL1256403
IUPHARN/A
BindingDB50416876
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
68650Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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