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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
Synonyms2-Butenedioic acid 1-pentyl ester
ZINC34662381
(2E)-4-OXO-4-(PENTYLOXY)-2-BUTENOIC ACID
SCHEMBL2248232
CHEMBL1771641
[ 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

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
28734Hydroxycarboxylic acid receptor 2Q8TDS4HCAR2Homo sapiens (Human)363

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