SEQ2FUN

BioLiP

PDB CCD ID: I7E
Number of entries in BioLiP: 0
Chemical formula: C10 H14
InChI: InChI=1S/C10H14/c1-10(2,3)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey: YTZKOQUCBOVLHL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(C)(C)c1ccccc1
Name:tert-butylbenzene
ChEMBL: CHEMBL1797277
ZINC: ZINC000001693606
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).