Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER CEthreader SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER MAGELLAN BindProf BindProfX SSIPe 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 SVMSEQ NeBcon ResPRE WDL-RF ATPbind DockRMSD DeepMSA FASPR

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

NameAC1OSKCM
Molecular formulaC20H23N3OS
IUPAC nameN-(1-cyanocyclohexyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylacetamide
Molecular weight353.484
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP4.5
SynonymsMLS001082088
CHEMBL1496365
MolPort-003-283-339
HMS3029E08
ZINC5582566
[ Show all ]
Inchi KeyADQRKYUCAOFPJT-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H23N3OS/c1-14-7-6-8-16-15(2)11-18(22-19(14)16)25-12-17(24)23-20(13-21)9-4-3-5-10-20/h6-8,11H,3-5,9-10,12H2,1-2H3,(H,23,24)
PubChem CID7743649
ChEMBLCHEMBL1496365
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
2984Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
2985Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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