SEQ2FUN

BioLiP

PDB CCD ID: I3U
Number of entries in BioLiP: 5
Chemical formula: C9 H18 N2 O4
InChI: InChI=1S/C9H18N2O4/c10-6-2-1-3-7-11(15)8(12)4-5-9(13)14/h15H,1-7,10H2,(H,13,14)
InChIKey: VUXMGAKZQBQIAH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(CCN)CCN(C(=O)CCC(=O)O)O
CACTVS 3.385NCCCCCN(O)C(=O)CCC(O)=O
ACDLabs 12.01NCCCCCN(O)C(=O)CCC(=O)O
Name:4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanoic acid;
N-(3-carboxypropanoyl)-N-hydroxycadaverine
ChEMBL: CHEMBL141830
ZINC: ZINC000027524824
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).