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BioLiP

PDB CCD ID: 74P
Number of entries in BioLiP: 0
Chemical formula: C11 H18 N2 O5
InChI: InChI=1S/C11H18N2O5/c1-7(14)6-9(11(17)18)13-5-3-2-4-8(12)10(15)16/h8H,2-6,12H2,1H3,(H,15,16)(H,17,18)/b13-9+/t8-/m0/s1
InChIKey: ODHRWAKMKXIGDP-AXPYHWFSSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5CC(=O)C/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O
ACDLabs 12.01C(C/C(=N\CCCCC(N)C(O)=O)C(=O)O)(C)=O
CACTVS 3.385CC(=O)CC(=NCCCC[CH](N)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.5CC(=O)CC(=NCCCCC(C(=O)O)N)C(=O)O
CACTVS 3.385CC(=O)CC(=NCCCC[C@H](N)C(O)=O)C(O)=O
Name:(E)-N~6~-(1-carboxy-3-oxobutylidene)-L-lysine
ZINC: ZINC000584905104
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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