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

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-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 TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameCHEMBL1734260
Molecular formulaC26H29N3O5S
IUPAC namemethyl 2-[[1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxo-1,2-thiazol-3-yl]piperidine-4-carbonyl]amino]benzoate
Molecular weight495.594
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.8
SynonymsG207-1594
methyl 2-[({1-[4-ethyl-5-(4-methylphenyl)-1,1-dioxidoisothiazol-3-yl]piperidin-4-yl}carbonyl)amino]benzoate
ZINC8603709
HMS1883E14
MolPort-007-831-367
[ Show all ]
Inchi KeyAGVNIWOMZLFSQS-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H29N3O5S/c1-4-20-23(18-11-9-17(2)10-12-18)35(32,33)28-24(20)29-15-13-19(14-16-29)25(30)27-22-8-6-5-7-21(22)26(31)34-3/h5-12,19H,4,13-16H2,1-3H3,(H,27,30)
PubChem CID16026196
ChEMBLCHEMBL1734260
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
463514Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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