SEQ2FUN

BioLiP

PDB CCD ID: 2MP
Number of entries in BioLiP: 3
Chemical formula: C8 H10 O
InChI: InChI=1S/C8H10O/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3
InChIKey: YCOXTKKNXUZSKD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Cc1ccc(O)cc1C
OpenEye OEToolkits 1.5.0Cc1ccc(cc1C)O
ACDLabs 10.04Oc1cc(c(cc1)C)C
Name:3,4-DIMETHYLPHENOL
ChEMBL: CHEMBL192008
DrugBank: DB04052
ZINC: ZINC000001576886
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).