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BioLiP

PDB CCD ID: T2C
Number of entries in BioLiP: 6
Chemical formula: C4 H7 N O2 S
InChI: InChI=1S/C4H7NO2S/c6-4(7)3-5-1-2-8-3/h3,5H,1-2H2,(H,6,7)/t3-/m0/s1
InChIKey: ULSZVNJBVJWEJE-VKHMYHEASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)[CH]1NCCS1
CACTVS 3.385OC(=O)[C@H]1NCCS1
ACDLabs 12.01C1(C(O)=O)NCCS1
OpenEye OEToolkits 2.0.7C1CS[C@H](N1)C(=O)O
OpenEye OEToolkits 2.0.7C1CSC(N1)C(=O)O
Name:(2S)-1,3-thiazolidine-2-carboxylic acid
ChEMBL: CHEMBL3786701
ZINC: ZINC000002001726
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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