SEQ2FUN

BioLiP

PDB CCD ID: JZ4
Number of entries in BioLiP: 1
Chemical formula: C9 H12 O
InChI: InChI=1S/C9H12O/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7,10H,2,5H2,1H3
InChIKey: LCHYEKKJCUJAKN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352
OpenEye OEToolkits 1.7.0		CCCc1ccccc1O
Name:2-propylphenol
ChEMBL: CHEMBL225569
ZINC: ZINC000001692499
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).