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

NameN-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]piperidine-1-carbothioamide
Molecular formulaC21H29N5S
IUPAC nameN-[4-methyl-2-(4-methylpiperazin-1-yl)quinolin-6-yl]piperidine-1-carbothioamide
Molecular weight383.558
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.5
SynonymsChemDiv3_008598
AC1O7UA4
MLS000730521
CHEMBL1584280
MolPort-007-610-715
[ Show all ]
Inchi KeyAIHIQFKQKQRNDO-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H29N5S/c1-16-14-20(25-12-10-24(2)11-13-25)23-19-7-6-17(15-18(16)19)22-21(27)26-8-4-3-5-9-26/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,22,27)
PubChem CID6621529
ChEMBLCHEMBL1584280
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
6210Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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