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

NameAC1MHC88
Molecular formulaC17H19NO4
IUPAC nameN-(furan-2-ylmethyl)-4-(oxolan-2-ylmethoxy)benzamide
Molecular weight301.342
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.2
SynonymsMLS000057118
CHEMBL1545307
MolPort-004-050-267
HMS2419M18
AKOS017048781
[ Show all ]
Inchi KeyAEGMFOKZDPPXCT-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H19NO4/c19-17(18-11-15-3-1-9-20-15)13-5-7-14(8-6-13)22-12-16-4-2-10-21-16/h1,3,5-9,16H,2,4,10-12H2,(H,18,19)
PubChem CID2999644
ChEMBLCHEMBL1545307
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
3443Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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