SEQ2FUN

BioLiP

PDB CCD ID: 9KP
Number of entries in BioLiP: 0
Chemical formula: C17 H20 N2 O6
InChI: InChI=1S/C17H20N2O6/c18-13(16(22)23)7-3-4-10-19-14(17(24)25)9-8-11-5-1-2-6-12(11)15(20)21/h1-2,5-6,8-9,13H,3-4,7,10,18H2,(H,20,21)(H,22,23)(H,24,25)/b9-8+,19-14+/t13-/m0/s1
InChIKey: SPDZYZMDISKQIF-OQQJUMBRSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@@H](CCCCN=C(\C=C\c1ccccc1C(O)=O)C(O)=O)C(O)=O
CACTVS 3.385N[CH](CCCCN=C(C=Cc1ccccc1C(O)=O)C(O)=O)C(O)=O
ACDLabs 12.01C(/C(=O)O)(=N\CCCCC(N)C(=O)O)\C=C\c1c(C(O)=O)cccc1
OpenEye OEToolkits 2.0.6c1ccc(c(c1)C=CC(=NCCCCC(C(=O)O)N)C(=O)O)C(=O)O
OpenEye OEToolkits 2.0.6c1ccc(c(c1)/C=C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O)C(=O)O
Name:(E)-N~6~-[(2E)-1-carboxy-3-(2-carboxyphenyl)prop-2-en-1-ylidene]-L-lysine
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).