SEQ2FUN

BioLiP

PDB CCD ID: XQZ
Number of entries in BioLiP: 2
Chemical formula: C4 H11 N O
InChI: InChI=1S/C4H11NO/c1-4(2,3)5-6/h5-6H,1-3H3
InChIKey: XWESXZZECGOXDQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(C)(C)NO
Name:N-T-Butylhydroxylamine;
N-hydroxy-2-methylpropan-2-amine
ChEMBL: CHEMBL555486
DrugBank: DB16957
ZINC: ZINC000001754610
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).