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Ligand

NameBDBM79969
Molecular formulaC18H13N3O4S
IUPAC name3-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-phenylpyrrole-2,5-diol
Molecular weight367.379
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.8
Synonyms3-[[(2Z)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-3H-1,3,4-oxadiazol-5-yl]thio]-1-phenylpyrrolidine-2,5-dione
cid_5740381
3-[[(2Z)-2-(6-ketocyclohexa-2,4-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]thio]-1-phenyl-pyrrolidine-2,5-quinone
3-[[(2Z)-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-3H-1,3,4-oxadiazol-5-yl]sulfanyl]-1-phenyl-pyrrolidine-2,5-dione
Inchi KeyDDZGCYNBRRDCGO-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H13N3O4S/c22-13-9-5-4-8-12(13)16-19-20-18(25-16)26-14-10-15(23)21(17(14)24)11-6-2-1-3-7-11/h1-10,22-24H
PubChem CID136664532
ChEMBLN/A
IUPHARN/A
BindingDB79969
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
559057C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374

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