SEQ2FUN

BioLiP

PDB CCD ID: EKZ
Number of entries in BioLiP: 6
Chemical formula: C10 H14 O2
InChI: InChI=1S/C10H14O2/c1-10(2,3)7-4-5-8(11)9(12)6-7/h4-6,11-12H,1-3H3
InChIKey: XESZUVZBAMCAEJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC(C)(C)c1ccc(O)c(O)c1
ACDLabs 12.01Oc1ccc(cc1O)C(C)(C)C
OpenEye OEToolkits 1.7.6CC(C)(C)c1ccc(c(c1)O)O
Name:4-tert-butylbenzene-1,2-diol;
4-tert-Butylcatechol (CAS 98-29-3)
ChEMBL: CHEMBL220845
ZINC: ZINC000000388150
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).