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BioLiP

PDB CCD ID: WQ1
Number of entries in BioLiP: 1
Chemical formula: C7 H9 N O
InChI: InChI=1S/C7H9NO/c1-6-2-3-8-4-7(6)5-9/h2-4,9H,5H2,1H3
InChIKey: YZWSTKQAGIQVJK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		Cc1ccncc1CO
ACDLabs 12.01n1cc(CO)c(cc1)C
Name:(4-methylpyridin-3-yl)methanol
ZINC: ZINC000001656171
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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