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BioLiP

PDB CCD ID: 3IM
Number of entries in BioLiP: 1
Chemical formula: C15 H24 O
InChI: InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
InChIKey: NLZUEZXRPGMBCV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
OpenEye OEToolkits 2.0.7Cc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Name:2,6-ditert-butyl-4-methyl-phenol;
2,6-di-tert-butyl-p-cresol
ChEMBL: CHEMBL146
DrugBank: DB16863
ZINC: ZINC000001481993
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).
  • 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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