SEQ2FUN

BioLiP

PDB CCD ID: 5R0
Number of entries in BioLiP: 0
Chemical formula: C11 H14 O2
InChI: InChI=1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
InChIKey: KDVYCTOWXSLNNI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)(C)c1ccc(cc1)C(O)=O
OpenEye OEToolkits 1.7.6CC(C)(C)c1ccc(cc1)C(=O)O
Name:4-~{tert}-butylbenzoic acid
ChEMBL: CHEMBL93746
ZINC: ZINC000000388305
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).