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BioLiP

PDB CCD ID: 9E7
Number of entries in BioLiP: 0
Chemical formula: C7 H16 N2 O2 S
InChI: InChI=1S/C7H16N2O2S/c8-6(7(10)11)3-1-2-4-9-5-12/h6,9,12H,1-5,8H2,(H,10,11)/t6-/m0/s1
InChIKey: IEEWMGZMRLQVDH-LURJTMIESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(CCNCS)C[C@@H](C(=O)O)N
CACTVS 3.385N[CH](CCCCNCS)C(O)=O
ACDLabs 12.01C(O)(C(N)CCCCNCS)=O
OpenEye OEToolkits 2.0.6C(CCNCS)CC(C(=O)O)N
CACTVS 3.385N[C@@H](CCCCNCS)C(O)=O
Name:N~6~-(sulfanylmethyl)-L-lysine
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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