SEQ2FUN

BioLiP

PDB CCD ID: UGW
Number of entries in BioLiP: 2
Chemical formula: C14 H22 O
InChI: InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3
InChIKey: ICKWICRCANNIBI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)(C)c1ccc(O)c(c1)C(C)(C)C
OpenEye OEToolkits 2.0.7CC(C)(C)c1ccc(c(c1)C(C)(C)C)O
Name:2,4-di~{tert}-butylphenol
ChEMBL: CHEMBL29873
ZINC: ZINC000001081075
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).