SEQ2FUN

BioLiP

PDB CCD ID: ERH
Number of entries in BioLiP: 2
Chemical formula: C8 H10 O
InChI: InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
InChIKey: TUAMRELNJMMDMT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cc(C)cc(O)c1
OpenEye OEToolkits 1.7.6Cc1cc(cc(c1)O)C
Name:3,4-DIMETHYLPHENOL
ChEMBL: CHEMBL191740
ZINC: ZINC000001699887
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).