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BioLiP Library

PDB CCD ID: YS6
Number of entries in BioLiP: 1
Chemical formula: C6 H7 N3 S
InChI: InChI=1S/C6H7N3S/c7-6(10)9-5-1-3-8-4-2-5/h1-4H,(H3,7,8,9,10)
InChIKey: HLOFIQOOOSRNFY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=S)Nc1ccncc1
OpenEye OEToolkits 1.7.6c1cnccc1NC(=S)N
Name:1-pyridin-4-ylthiourea
ZINC: ZINC000005594608
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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