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

NameAC1N9GTR
Molecular formulaC17H20N2O4S
IUPAC nameethyl 2-[3-(4-methoxyphenyl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
Molecular weight348.417
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.3
Synonyms545365-56-8
AKOS001232309
CHEMBL1520883
ethyl 2-[3-(4-methoxyphenyl)propanamido]-4-methyl-1,3-thiazole-5-carboxylate
ethyl 2-[3-(4-methoxyphenyl)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
[ Show all ]
Inchi KeyFYFBLBDZCMVRNG-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H20N2O4S/c1-4-23-16(21)15-11(2)18-17(24-15)19-14(20)10-7-12-5-8-13(22-3)9-6-12/h5-6,8-9H,4,7,10H2,1-3H3,(H,18,19,20)
PubChem CID4385342
ChEMBLCHEMBL1520883
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
90175Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
90177Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
90176Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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