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BioLiP

PDB CCD ID: 00B
Number of entries in BioLiP: 0
Chemical formula: C6 H11 N O2 S
InChI: InChI=1S/C6H11NO2S/c1-6(2)4(5(8)9)7-3-10-6/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m1/s1
InChIKey: PMQQFSDIECYOQV-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC1(C)SCN[C@@H]1C(O)=O
ACDLabs 12.01O=C(O)C1NCSC1(C)C
CACTVS 3.370CC1(C)SCN[CH]1C(O)=O
OpenEye OEToolkits 1.7.0CC1([C@H](NCS1)C(=O)O)C
OpenEye OEToolkits 1.7.0CC1(C(NCS1)C(=O)O)C
Name:(4R)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
ChEMBL: CHEMBL1229504
ZINC: ZINC000005105765
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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