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BioLiP

PDB CCD ID: SE2
Number of entries in BioLiP: 5
Chemical formula: C9 H6 O3
InChI: InChI=1S/C9H6O3/c10-7-5-6-3-1-2-4-8(6)12-9(7)11/h1-5,10H
InChIKey: MJKVTPMWOKAVMS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC1=Cc2ccccc2OC1=O
OpenEye OEToolkits 1.9.2c1ccc2c(c1)C=C(C(=O)O2)O
ACDLabs 12.01O=C2Oc1ccccc1C=C2O
Name:3-HYDROXY-2H-CHROMEN-2-ONE
ChEMBL: CHEMBL150372
ZINC: ZINC000000336205
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)(download the PDF file).
  • 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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