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 EM-Refiner

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 CASP14

You can:

Ligand

NameMLS001034823
Molecular formulaC18H25ClN2O3S
IUPAC name[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-piperidin-1-ylmethanone
Molecular weight384.919
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.2
SynonymsSMR000670877
[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-piperidin-1-ylmethanone
AC1O5TM4
CHEMBL1543278
BDBM62159
[ Show all ]
Inchi KeyCLHKLNZUACLMFZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H25ClN2O3S/c19-16-9-8-15(18(22)20-10-4-3-5-11-20)14-17(16)25(23,24)21-12-6-1-2-7-13-21/h8-9,14H,1-7,10-13H2
PubChem CID6463414
ChEMBLCHEMBL1543278
IUPHARN/A
BindingDB62159
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
44720Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
44722Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422
44721Neuropeptides B/W receptor type 1P48145NPBWR1Homo sapiens (Human)328

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