SEQ2FUN

BioLiP

PDB CCD ID: N0D
Number of entries in BioLiP: 2
Chemical formula: C8 H10 O
InChI: InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3
InChIKey: KUFFULVDNCHOFZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc(O)c(C)c1
ACDLabs 12.01Cc1cc(C)ccc1O
OpenEye OEToolkits 2.0.7Cc1ccc(c(c1)C)O
Name:2,4-dimethylphenol
ChEMBL: CHEMBL29878
ZINC: ZINC000001672873
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).