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BioLiP

PDB CCD ID: 7CZ
Number of entries in BioLiP: 2
Chemical formula: C7 H6 O S
InChI: InChI=1S/C7H6OS/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)
InChIKey: DNBQDZRBEGFUEA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC1=CC=CC=CC1=S
OpenEye OEToolkits 2.0.6C1=CC=C(C(=S)C=C1)O
ACDLabs 12.01S=C1C=CC=CC=C1O
Name:2-hydroxycyclohepta-2,4,6-triene-1-thione
ZINC: ZINC000039246590
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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