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

NameCHEMBL1593838
Molecular formulaC29H23FN2O4S
IUPAC name5-[(4-fluorophenyl)methyl]-6,11,11-trioxo-N-(2-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide
Molecular weight514.571
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.6
SynonymsMolPort-007-640-628
HMS1828O01
ZINC8597952
AKOS001501057
MCULE-4739577070
[ Show all ]
Inchi KeyABSGAYKPOYYACP-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H23FN2O4S/c30-23-13-10-21(11-14-23)19-32-25-18-22(28(33)31-17-16-20-6-2-1-3-7-20)12-15-27(25)37(35,36)26-9-5-4-8-24(26)29(32)34/h1-15,18H,16-17,19H2,(H,31,33)
PubChem CID16008109
ChEMBLCHEMBL1593838
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1124Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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