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BioLiP

PDB CCD ID: S6B
Number of entries in BioLiP: 1
Chemical formula: C10 H9 Cl N2 O
InChI: InChI=1S/C10H9ClN2O/c11-9-5-8(6-14)1-2-10(9)13-4-3-12-7-13/h1-5,7,14H,6H2
InChIKey: GOZGKDDBSIDBIJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCc1ccc(n2ccnc2)c(Cl)c1
OpenEye OEToolkits 2.0.7c1cc(c(cc1CO)Cl)n2ccnc2
Name:3-chloranyl-4-imidazol-1-yl-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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