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

NameMLS000102793
Molecular formulaC20H15N3O4S2
IUPAC nameN-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Molecular weight425.477
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.5
SynonymsF0695-0087
SMR000018257
BDBM48976
MLS002152835
CHEMBL1423773
[ Show all ]
Inchi KeyANNOXMPVMJABQL-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H15N3O4S2/c24-29(25,15-6-7-17-18(12-15)27-10-9-26-17)23-14-4-1-3-13(11-14)19-22-16-5-2-8-21-20(16)28-19/h1-8,11-12,23H,9-10H2
PubChem CID5310296
ChEMBLCHEMBL1423773
IUPHARN/A
BindingDB48976
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9707D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
9708D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
9706Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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