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BioLiP

PDB CCD ID: FC5
Number of entries in BioLiP: 1
Chemical formula: C9 H6 O2 S
InChI: InChI=1S/C9H6O2S/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5,10H
InChIKey: FGHZVFOCIYABBE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc2c(cc1O)C=CC(=S)O2
CACTVS 3.385Oc1ccc2OC(=S)C=Cc2c1
ACDLabs 12.01S=C2Oc1ccc(O)cc1C=C2
Name:6-hydroxy-2H-chromene-2-thione
ChEMBL: CHEMBL1957177
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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