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BioLiP Library

PDB CCD ID: HBX
Number of entries in BioLiP: 57
Chemical formula: C7 H6 O
InChI: InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
InChIKey: HUMNYLRZRPPJDN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		O=Cc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)C=O
Name:benzaldehyde
ChEMBL: CHEMBL15972
ZINC: ZINC000000895145
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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