SEQ2FUN

BioLiP

PDB CCD ID: H3Z
Number of entries in BioLiP: 1
Chemical formula: C9 H12 O
InChI: InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3
InChIKey: YQUQWHNMBPIWGK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(C)c1ccc(cc1)O
CACTVS 3.385CC(C)c1ccc(O)cc1
Name:4-propan-2-ylphenol
ChEMBL: CHEMBL29966
ZINC: ZINC000001577074
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).