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BioLiP

PDB CCD ID: SLZ
Number of entries in BioLiP: 2
Chemical formula: C5 H12 N2 O2 S
InChI: InChI=1S/C5H12N2O2S/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
InChIKey: GHSJKUNUIHUPDF-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)CSCCN
OpenEye OEToolkits 1.5.0C(CSCC(C(=O)O)N)N
OpenEye OEToolkits 1.5.0C(CSC[C@@H](C(=O)O)N)N
CACTVS 3.341NCCSC[C@H](N)C(O)=O
CACTVS 3.341NCCSC[CH](N)C(O)=O
Name:L-THIALYSINE
ChEMBL: CHEMBL397565
ZINC: ZINC000005828978
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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