SEQ2FUN

BioLiP

PDB CCD ID: LMF
Number of entries in BioLiP: 0
Chemical formula: C8 H17 N3 O2 S
InChI: InChI=1S/C8H17N3O2S/c1-10-8(14)11-5-3-2-4-6(9)7(12)13/h6H,2-5,9H2,1H3,(H,12,13)(H2,10,11,14)
InChIKey: ZRPGWKQIWAUACK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 2.87CNC(=S)NCCCCC(N)C(O)=O
OpenEye OEToolkits 1.5.0CNC(=S)NCCCCC(C(=O)O)N
OpenEye OEToolkits 1.5.0CNC(=S)NCCCC[C@@H](C(=O)O)N
Name:NZ(N-METHYL THIOFORMAMIDE) 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).