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BioLiP

PDB CCD ID: TW8
Number of entries in BioLiP: 1
Chemical formula: C15 H14 N2 O3 S
InChI: InChI=1S/C15H14N2O3S/c18-11-12-5-7-13(8-6-12)21(19,20)17-10-9-16-14-3-1-2-4-15(14)17/h1-8,11,16H,9-10H2
InChIKey: GOMXOBFYQBMFTF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)NCCN2S(=O)(=O)c3ccc(cc3)C=O
CACTVS 3.385O=Cc1ccc(cc1)[S](=O)(=O)N2CCNc3ccccc23
Name:4-(3,4-dihydro-2~{H}-quinoxalin-1-ylsulfonyl)benzaldehyde
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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