SEQ2FUN

BioLiP

PDB CCD ID: JZ0
Number of entries in BioLiP: 6
Chemical formula: C7 H8 O
InChI: InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
InChIKey: QWVGKYWNOKOFNN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352
OpenEye OEToolkits 1.7.0		Cc1ccccc1O
Name:o-cresol;
ortho-cresol,2-methylphenol
ChEMBL: CHEMBL46931
ZINC: ZINC000000901022
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).