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BioLiP

PDB CCD ID: PYU
Number of entries in BioLiP: 2
Chemical formula: C11 H9 N O4
InChI: InChI=1S/C11H9NO4/c13-7-5-8(14)10(9(15)6-7)11(16)12-3-1-2-4-12/h1-6,13-15H
InChIKey: RYGSNHBTZDYVSS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Oc1cc(O)c(c(O)c1)C(=O)n2cccc2
ACDLabs 10.04O=C(c1c(O)cc(O)cc1O)n2cccc2
OpenEye OEToolkits 1.5.0c1ccn(c1)C(=O)c2c(cc(cc2O)O)O
Name:2-(1H-pyrrol-1-ylcarbonyl)benzene-1,3,5-triol
ChEMBL: CHEMBL513225
DrugBank: DB08443
ZINC: ZINC000096006136
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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