SEQ2FUN

BioLiP

PDB CCD ID: 33D
Number of entries in BioLiP: 2
Chemical formula: C6 H14 O
InChI: InChI=1S/C6H14O/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3
InChIKey: DUXCSEISVMREAX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352
OpenEye OEToolkits 1.6.1		CC(C)(C)CCO
Name:3,3-DIMETHYLBUTAN-1-OL
ChEMBL: CHEMBL25029
ZINC: ZINC000001685024
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).