SEQ2FUN

BioLiP

PDB CCD ID: H8F
Number of entries in BioLiP: 2
Chemical formula: C15 H25 N O
InChI: InChI=1S/C15H25NO/c1-14(2,3)10-7-12(15(4,5)6)11(9-16)13(17)8-10/h7-8,17H,9,16H2,1-6H3
InChIKey: ZUSLEOOZAITYGH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)(C)c1cc(c(c(c1)O)CN)C(C)(C)C
CACTVS 3.385CC(C)(C)c1cc(O)c(CN)c(c1)C(C)(C)C
Name:2-(aminomethyl)-3,5-ditert-butyl-phenol
ChEMBL: CHEMBL1191888
ZINC: ZINC000029221235
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).