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

NameCHEMBL1396550
Molecular formulaC24H28N2OS
IUPAC nameN-cyclohexyl-8-methyl-6-propylbenzo[b][1,4]benzothiazepine-3-carboxamide
Molecular weight392.561
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.8
SynonymsAKOS021713881
HMS1912B12
K783-5162
MCULE-3403895531
MolPort-023-198-843
[ Show all ]
Inchi KeyAAFHRLBIEMJBDA-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H28N2OS/c1-3-7-20-19-14-16(2)10-12-22(19)28-23-13-11-17(15-21(23)26-20)24(27)25-18-8-5-4-6-9-18/h10-15,18H,3-9H2,1-2H3,(H,25,27)
PubChem CID16034061
ChEMBLCHEMBL1396550
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
163Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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