Home Research Services Publications People Teaching Job Opening Facilities 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 BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER 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

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

NameCHEMBL594302
Molecular formulaC15H15ClN2OS
IUPAC name(2S)-2-(4-chlorophenyl)-3-cyclopropyl-N-(1,3-thiazol-2-yl)propanamide
Molecular weight306.808
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.2
Synonyms(S)-2-(4-chlorophenyl)-3-cyclopropyl-N-(thiazol-2-yl)propanamide
BDBM50305924
Inchi KeyIXLDGZYBMMNXQT-ZDUSSCGKSA-N
Inchi IDInChI=1S/C15H15ClN2OS/c16-12-5-3-11(4-6-12)13(9-10-1-2-10)14(19)18-15-17-7-8-20-15/h3-8,10,13H,1-2,9H2,(H,17,18,19)/t13-/m0/s1
PubChem CID46226338
ChEMBLCHEMBL594302
IUPHARN/A
BindingDB50305924
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
144088Free fatty acid receptor 2O15552FFAR2Homo sapiens (Human)330

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