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

NamePentyl Fumarate
Molecular formulaC9H14O4
IUPAC name(E)-4-oxo-4-pentoxybut-2-enoic acid
Molecular weight186.207
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP1.7
SynonymsCHEMBL1771641
SCHEMBL462475
SCHEMBL2248232
2-Butenedioic acid 1-pentyl ester
BDBM50342422
[ Show all ]
Inchi KeyBOFGUJVLYGISIU-AATRIKPKSA-N
Inchi IDInChI=1S/C9H14O4/c1-2-3-4-7-13-9(12)6-5-8(10)11/h5-6H,2-4,7H2,1H3,(H,10,11)/b6-5+
PubChem CID10103897
ChEMBLCHEMBL1771641
IUPHARN/A
BindingDB50342422
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
28734Hydroxycarboxylic acid receptor 2Q8TDS4HCAR2Homo sapiens (Human)363

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