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

NameCHEMBL3955764
Molecular formulaC15H14O4S2
IUPAC name2-naphthalen-1-yl-6,7-dihydro-5H-1,4-dithiepine 1,1,4,4-tetraoxide
Molecular weight322.393
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP2.0
Synonyms2-(1-Naphthyl)-6,7-dihydro-5H-1,4-dithiepin 1,1,4,4-tetraoxide
Inchi KeyKKLTWGURCFBFSG-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H14O4S2/c16-20(17)9-4-10-21(18,19)15(11-20)14-8-3-6-12-5-1-2-7-13(12)14/h1-3,5-8,11H,4,9-10H2
PubChem CID91167010
ChEMBLCHEMBL3955764
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
540385Galanin receptor type 1P47211GALR1Homo sapiens (Human)349

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