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BioLiP

PDB CCD ID: V39
Number of entries in BioLiP: 3
Chemical formula: C14 H15 N O3
InChI: InChI=1S/C14H15NO3/c1-10-13(17)6-3-7-14(10)18-9-12-5-2-4-11(8-16)15-12/h2-7,16-17H,8-9H2,1H3
InChIKey: ABSPMLLMAMTEDZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1c(O)cccc1OCc2cccc(CO)n2
ACDLabs 12.01Cc1c(cccc1O)OCc2cccc(n2)CO
OpenEye OEToolkits 2.0.7Cc1c(cccc1OCc2cccc(n2)CO)O
Name:3-{[6-(hydroxymethyl)pyridin-2-yl]methoxy}-2-methylphenol
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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