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BioLiP

PDB CCD ID: 1Q8
Number of entries in BioLiP: 14
Chemical formula: C8 H9 N O2
InChI: InChI=1S/C8H9NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5,10H,6H2,(H,9,11)
InChIKey: UOUBPDZUBVJZOQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)C(=O)NCO
ACDLabs 12.01O=C(NCO)c1ccccc1
CACTVS 3.370OCNC(=O)c1ccccc1
Name:N-(hydroxymethyl)benzamide
ZINC: ZINC000000236520
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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