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BioLiP Library

PDB CCD ID: EYK
Number of entries in BioLiP: 5
Chemical formula: C10 H14 O2
InChI: InChI=1S/C10H14O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6,11-12H,1-3H3
InChIKey: BGNXCDMCOKJUMV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(C)(C)c1cc(O)ccc1O
OpenEye OEToolkits 1.5.0CC(C)(C)c1cc(ccc1O)O
ACDLabs 10.04Oc1ccc(O)cc1C(C)(C)C
Name:2-tert-butylbenzene-1,4-diol
ChEMBL: CHEMBL242080
DrugBank: DB07726
ZINC: ZINC000000388085
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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