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

NameCHEMBL3701925
Molecular formulaC17H16ClN3OS
IUPAC name6-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]-1,3-benzothiazol-2-amine
Molecular weight345.845
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM129384
SCHEMBL12609709
US8802673, 26
Inchi KeyBAOBADUPYUALTB-OAHLLOKOSA-N
Inchi IDInChI=1S/C17H16ClN3OS/c18-12-3-6-14-16(9-12)23-17(21-14)20-13-4-1-11(2-5-13)15-10-19-7-8-22-15/h1-6,9,15,19H,7-8,10H2,(H,20,21)/t15-/m1/s1
PubChem CID86766832
ChEMBLCHEMBL3701925
IUPHARN/A
BindingDB129384
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
19028Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332
19029Trace amine-associated receptor 7bQ923X8Taar7bRattus norvegicus (Rat)358

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