SEQ2FUN

BioLiP

PDB CCD ID: 7DV
Number of entries in BioLiP: 40
Chemical formula: C7 H8 O2
InChI: InChI=1S/C7H8O2/c1-5-4-6(8)2-3-7(5)9/h2-4,8-9H,1H3
InChIKey: CNHDIAIOKMXOLK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cc(O)ccc1O
OpenEye OEToolkits 2.0.6Cc1cc(ccc1O)O
Name:2-methylbenzene-1,4-diol
ChEMBL: CHEMBL450917
ZINC: ZINC000000388086
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).