Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameCHEMBL3961540
Molecular formulaC23H27NO6S2
IUPAC name2-butoxy-N-[2-phenyl-1-(1,1,4,4-tetraoxo-2,3-dihydro-1,4-dithiin-5-yl)ethyl]benzamide
Molecular weight477.59
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.3
SynonymsN/A
Inchi KeyAWFOBYWKVZYQKK-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27NO6S2/c1-2-3-13-30-21-12-8-7-11-19(21)23(25)24-20(16-18-9-5-4-6-10-18)22-17-31(26,27)14-15-32(22,28)29/h4-12,17,20H,2-3,13-16H2,1H3,(H,24,25)
PubChem CID134155181
ChEMBLCHEMBL3961540
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
548058Galanin receptor type 1P47211GALR1Homo sapiens (Human)349

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