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

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA FASPR

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

You can:

Ligand

NameMLS001225433
Molecular formulaC19H17FN4O3S2
IUPAC name2-fluoro-N-[5-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
Molecular weight432.488
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.3
SynonymsCHEMBL1380537
HMS2916M10
ZINC15935693
AKOS000764410
MCULE-7957673575
[ Show all ]
Inchi KeyAMDKDQKYYNCXHM-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H17FN4O3S2/c1-27-13-8-6-12(7-9-13)10-21-16(25)11-28-19-24-23-18(29-19)22-17(26)14-4-2-3-5-15(14)20/h2-9H,10-11H2,1H3,(H,21,25)(H,22,23,26)
PubChem CID24792708
ChEMBLCHEMBL1380537
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
8766Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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