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BioLiP

PDB CCD ID: VTT
Number of entries in BioLiP: 3
Chemical formula: C6 H8 N2 O S
InChI: InChI=1S/C6H8N2OS/c1-4-2-3-10-5(4)6(9)8-7/h2-3H,7H2,1H3,(H,8,9)
InChIKey: MVROGAXPQMISQI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		Cc1ccsc1C(=O)NN
ACDLabs 12.01O=C(NN)c1sccc1C
Name:3-methylthiophene-2-carbohydrazide
ZINC: ZINC000002576189
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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