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BioLiP

PDB CCD ID: UON
Number of entries in BioLiP: 1
Chemical formula: C15 H11 Cl N2 O2
InChI: InChI=1S/C15H11ClN2O2/c1-20-12-6-7-14-13(8-12)17-15(16)18(14)11-4-2-10(9-19)3-5-11/h2-9H,1H3
InChIKey: RGYSXOYXQMSTHS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc2c(c1)nc(n2c3ccc(cc3)C=O)Cl
CACTVS 3.385COc1ccc2n(c(Cl)nc2c1)c3ccc(C=O)cc3
Name:4-(2-chloranyl-5-methoxy-benzimidazol-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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