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BioLiP

PDB CCD ID: EYV
Number of entries in BioLiP: 1
Chemical formula: C9 H7 N O2 S
InChI: InChI=1S/C9H7NO2S/c11-9(12)5-8-10-6-3-1-2-4-7(6)13-8/h1-4H,5H2,(H,11,12)
InChIKey: ZOAYQTSFMDZTQA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(C(O)=O)c2sc1c(cccc1)n2
CACTVS 3.385OC(=O)Cc1sc2ccccc2n1
OpenEye OEToolkits 2.0.6c1ccc2c(c1)nc(s2)CC(=O)O
Name:(1,3-benzothiazol-2-yl)acetic acid
ChEMBL: CHEMBL4212057
ZINC: ZINC000004204714
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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