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BioLiP

PDB CCD ID: A1AA8
Number of entries in BioLiP: 1
Chemical formula: C7 H8 N2 O S
InChI: InChI=1S/C7H8N2OS/c1-11-7-5(6(8)10)3-2-4-9-7/h2-4H,1H3,(H2,8,10)
InChIKey: YDYXNHSKBIZKFD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385		CSc1ncccc1C(N)=O
OpenEye OEToolkits 2.0.7CSc1c(cccn1)C(=O)N
Name:2-(methylsulfanyl)pyridine-3-carboxamide
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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