SEQ2FUN

BioLiP

PDB CCD ID: 2MY
Number of entries in BioLiP: 2
Chemical formula: C8 H10 O
InChI: InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
InChIKey: NXXYKOUNUYWIHA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1cccc(c1O)C
ACDLabs 10.04Oc1c(cccc1C)C
CACTVS 3.341Cc1cccc(C)c1O
Name:2,6-dimethylphenol
ChEMBL: CHEMBL30106
ZINC: ZINC000001577167
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).