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BioLiP

PDB CCD ID: 697
Number of entries in BioLiP: 2
Chemical formula: C15 H9 N O3
InChI: InChI=1S/C15H9NO3/c16-8-11-6-13(18)5-10-7-14(19-15(10)11)9-1-3-12(17)4-2-9/h1-7,17-18H
InChIKey: GGEKOZPXKBYLNK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Oc1ccc(cc1)c2oc3c(cc(O)cc3C#N)c2
ACDLabs 10.04N#Cc3cc(O)cc1c3oc(c1)c2ccc(O)cc2
OpenEye OEToolkits 1.5.0c1cc(ccc1c2cc3cc(cc(c3o2)C#N)O)O
Name:5-HYDROXY-2-(4-HYDROXYPHENYL)-1-BENZOFURAN-7-CARBONITRILE
ChEMBL: CHEMBL363498
DrugBank: DB07198
ZINC: ZINC000016051646
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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