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BioLiP

PDB CCD ID: XJP
Number of entries in BioLiP: 3
Chemical formula: C3 H9 N3 S
InChI: InChI=1S/C3H9N3S/c4-2-1-7-3(5)6-2/h2-3,6H,1,4-5H2/t2-,3+/m1/s1
InChIKey: QLBSFPQCZZUQIJ-GBXIJSLDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@H]1CS[C@@H](N)N1
OpenEye OEToolkits 2.0.7C1[C@@H](N[C@@H](S1)N)N
CACTVS 3.385N[CH]1CS[CH](N)N1
ACDLabs 12.01NC1NC(SC1)N
OpenEye OEToolkits 2.0.7C1C(NC(S1)N)N
Name:(2S,4R)-1,3-thiazolidine-2,4-diamine
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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