SEQ2FUN

BioLiP

PDB CCD ID: 88B
Number of entries in BioLiP: 1
Chemical formula: C4 H8 N2 O3
InChI: InChI=1S/C4H8N2O3/c5-6-3(7)1-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
InChIKey: XRMBRQWBOICYRP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NNC(=O)CCC(O)=O
OpenEye OEToolkits 2.0.7C(CC(=O)O)C(=O)NN
Name:4-diazanyl-4-oxidanylidene-butanoic acid
ChEMBL: CHEMBL2164246
ZINC: ZINC000001700248
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).