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BioLiP

PDB CCD ID: LW1
Number of entries in BioLiP: 7
Chemical formula: C5 H4 O S
InChI: InChI=1S/C5H4OS/c6-4-5-2-1-3-7-5/h1-4H
InChIKey: CNUDBTRUORMMPA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=Cc1sccc1
ACDLabs 12.01C(c1cccs1)=O
OpenEye OEToolkits 2.0.6c1cc(sc1)C=O
Name:thiophene-2-carbaldehyde
ChEMBL: CHEMBL328441
ZINC: ZINC000000158751
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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