SEQ2FUN

BioLiP

PDB CCD ID: DTG
Number of entries in BioLiP: 0
Chemical formula: C6 H12 O2
InChI: InChI=1S/C6H12O2/c1-6(2,3)4-5(7)8/h4H2,1-3H3,(H,7,8)
InChIKey: MLMQPDHYNJCQAO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(C)(C)CC(O)=O
OpenEye OEToolkits 1.5.0CC(C)(C)CC(=O)O
ACDLabs 10.04O=C(O)CC(C)(C)C
Name:DES-AMINO T-BUTYL GLYCINE
ChEMBL: CHEMBL1232385
ZINC: ZINC000000388597
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).