SEQ2FUN

BioLiP

PDB CCD ID: DBU
Number of entries in BioLiP: 0
Chemical formula: C4 H7 N O2
InChI: InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2H,5H2,1H3,(H,6,7)/b3-2-
InChIKey: PAWSVPVNIXFKOS-IHWYPQMZSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)C(=C/C)/N
OpenEye OEToolkits 1.5.0C\C=C(\C(=O)O)/N
CACTVS 3.341CC=C(N)C(O)=O
CACTVS 3.341C\C=C(/N)C(O)=O
OpenEye OEToolkits 1.5.0CC=C(C(=O)O)N
Name:(2Z)-2-AMINOBUT-2-ENOIC ACID;
Z-DEHYDROBUTYRINE
DrugBank: DB03720
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).