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BioLiP

PDB CCD ID: GJ1
Number of entries in BioLiP: 3
Chemical formula: C15 H17 N O3
InChI: InChI=1S/C15H17NO3/c1-11-8-14(18-2)6-7-15(11)19-10-13-5-3-4-12(9-17)16-13/h3-8,17H,9-10H2,1-2H3
InChIKey: GBTFLQPUSKDFPL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(OCc2cccc(CO)n2)c(C)c1
OpenEye OEToolkits 2.0.6Cc1cc(ccc1OCc2cccc(n2)CO)OC
ACDLabs 12.01c2(OCc1cccc(n1)CO)ccc(cc2C)OC
Name:{6-[(4-methoxy-2-methylphenoxy)methyl]pyridin-2-yl}methanol
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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