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BioLiP

PDB CCD ID: BNF
Number of entries in BioLiP: 6
Chemical formula: C8 H9 N O
InChI: InChI=1S/C8H9NO/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10)
InChIKey: IIBOGKHTXBPGEI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CNC=O
ACDLabs 10.04
CACTVS 3.341		O=CNCc1ccccc1
Name:N-BENZYLFORMAMIDE
ChEMBL: CHEMBL46293
DrugBank: DB02481
ZINC: ZINC000087515328
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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