SEQ2FUN

BioLiP

PDB CCD ID: 3WS
Number of entries in BioLiP: 0
Chemical formula: C5 H11 N O2
InChI: InChI=1S/C5H11NO2/c1-5(2,6-3)4(7)8/h6H,1-3H3,(H,7,8)
InChIKey: DLAMVQGYEVKIRE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C(NC)(C)C
OpenEye OEToolkits 1.9.2CC(C)(C(=O)O)NC
CACTVS 3.385CNC(C)(C)C(O)=O
Name:N,2-dimethyl-L-alanine
ChEMBL: CHEMBL1916079
ZINC: ZINC000000403027
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).