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 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

Name3-[(2-chloro-4-fluorobenzyl)thio]-N-(2,5-dimethoxybenzyl)propanamide
Molecular formulaC19H21ClFNO3S
IUPAC name3-[(2-chloro-4-fluorophenyl)methylsulfanyl]-N-[(2,5-dimethoxyphenyl)methyl]propanamide
Molecular weight397.889
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.8
SynonymsAC1NNGX0
SMR000564572
CHEMBL1500544
MLS001200725
AKOS002124256
[ Show all ]
Inchi KeyACMBWTZFZNVZNG-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21ClFNO3S/c1-24-16-5-6-18(25-2)14(9-16)11-22-19(23)7-8-26-12-13-3-4-15(21)10-17(13)20/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,22,23)
PubChem CID5069045
ChEMBLCHEMBL1500544
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1692Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463154Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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