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BioLiP

PDB CCD ID: SMV
Number of entries in BioLiP: 1
Chemical formula: C5 H5 N S2
InChI: InChI=1S/C5H5NS2/c6-5(7)4-2-1-3-8-4/h1-3H,(H2,6,7)
InChIKey: HDXYHAPUCGQOBX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=S)c1sccc1
OpenEye OEToolkits 2.0.6c1cc(sc1)C(=S)N
Name:thiophene-2-carbothioamide
ChEMBL: CHEMBL2441348
ZINC: ZINC000000166060
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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