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BioLiP

PDB CCD ID: V7W
Number of entries in BioLiP: 2
Chemical formula: C8 H9 N O2 S2
InChI: InChI=1S/C8H9NO2S2/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-3,5,7,9H,4H2,(H,10,11)/t5-,7-/m0/s1
InChIKey: ZUDFHYZUQCNUJF-FSPLSTOPSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)[CH]1CS[CH](N1)c2sccc2
CACTVS 3.385OC(=O)[C@@H]1CS[C@H](N1)c2sccc2
OpenEye OEToolkits 2.0.7c1cc(sc1)C2NC(CS2)C(=O)O
OpenEye OEToolkits 2.0.7c1cc(sc1)[C@H]2N[C@@H](CS2)C(=O)O
Name:(2S,4R)-2-(thiophen-2-yl)thiazolidine-4-carboxylic acid
ZINC: ZINC000000054092
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)(download the PDF file).
  • 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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