SEQ2FUN

BioLiP

PDB CCD ID: 12M
Number of entries in BioLiP: 6
Chemical formula: C9 H12 O
InChI: InChI=1S/C9H12O/c1-2-8-5-3-4-6-9(8)7-10/h3-6,10H,2,7H2,1H3
InChIKey: SBUIQTMDIOLKAL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCc1ccccc1CO
ACDLabs 10.04OCc1ccccc1CC
Name:(2-ETHYLPHENYL)METHANOL
ChEMBL: CHEMBL386156
ZINC: ZINC000002506781
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).