SEQ2FUN

BioLiP

PDB CCD ID: IP0
Number of entries in BioLiP: 1
Chemical formula: C9 H12 O
InChI: InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3
InChIKey: CRBJBYGJVIBWIY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Oc1ccccc1C(C)C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC(C)c1ccccc1O
Name:2-(1-methylethyl)phenol
ChEMBL: CHEMBL30018
ZINC: ZINC000001680692
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).