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

NameSMR000201334
Molecular formulaC23H18N2O5S
IUPAC namedimethyl 2-(phenothiazine-10-carbonylamino)benzene-1,4-dicarboxylate
Molecular weight434.466
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.6
SynonymsMLS000582115
dimethyl 2-[(10H-phenothiazin-10-ylcarbonyl)amino]terephthalate
AC1M34HP
MLS002548310
CHEMBL1478050
[ Show all ]
Inchi KeyAIAQIIQCOWDGRT-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H18N2O5S/c1-29-21(26)14-11-12-15(22(27)30-2)16(13-14)24-23(28)25-17-7-3-5-9-19(17)31-20-10-6-4-8-18(20)25/h3-13H,1-2H3,(H,24,28)
PubChem CID2231332
ChEMBLCHEMBL1478050
IUPHARN/A
BindingDBN/A
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
6049Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371

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