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BioLiP

PDB CCD ID: 0FI
Number of entries in BioLiP: 7
Chemical formula: C7 H7 N S
InChI: InChI=1S/C7H7NS/c9-6-8-7-4-2-1-3-5-7/h1-6H,(H,8,9)
InChIKey: UNRRVOATHRPYDX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)NC=S
ACDLabs 12.01
CACTVS 3.370		S=CNc1ccccc1
Name:N-phenylthioformamide;
PHENYL ISOTHIOCYANATE, bound form
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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