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BioLiP Library

PDB CCD ID: PYS
Number of entries in BioLiP: 4
Chemical formula: C5 H5 N S
InChI: InChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
InChIKey: WHMDPDGBKYUEMW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccnc(c1)S
CACTVS 3.341Sc1ccccn1
ACDLabs 10.04Sc1ncccc1
Name:2-PYRIDINETHIOL
ChEMBL: CHEMBL1235541
DrugBank: DB03329
ZINC: ZINC000000403023
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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