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

NameSMR000132570
Molecular formulaC14H14BrClN4O3S
IUPAC name3-[(2-amino-5-bromopyridin-3-yl)sulfonylamino]-N-(3-chlorophenyl)propanamide
Molecular weight433.705
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP2.1
SynonymsAC1MR8GX
MLS000522162
MLS002589355
CHEMBL1500538
BDBM119886
[ Show all ]
Inchi KeyACOHGTJLWQJSIZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C14H14BrClN4O3S/c15-9-6-12(14(17)18-8-9)24(22,23)19-5-4-13(21)20-11-3-1-2-10(16)7-11/h1-3,6-8,19H,4-5H2,(H2,17,18)(H,20,21)
PubChem CID3488944
ChEMBLCHEMBL1500538
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
1742Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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