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BioLiP

PDB CCD ID: UPQ
Number of entries in BioLiP: 1
Chemical formula: C11 H10 N2 O
InChI: InChI=1S/C11H10N2O/c1-9-6-13(8-12-9)11-4-2-10(7-14)3-5-11/h2-8H,1H3
InChIKey: PVVBFOHONHPONZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cn(cn1)c2ccc(C=O)cc2
OpenEye OEToolkits 2.0.7Cc1cn(cn1)c2ccc(cc2)C=O
Name:4-(4-methylimidazol-1-yl)benzaldehyde
ZINC: ZINC000034441230
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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