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BioLiP Library

PDB CCD ID: 5ZR
Number of entries in BioLiP: 2
Chemical formula: C11 H18 N2 O2 S
InChI: InChI=1S/C11H18N2O2S/c1-2-3-4-5-6-7-8-9(10(14)15)13-11(12)16-8/h2-7H2,1H3,(H2,12,13)(H,14,15)
InChIKey: REOSVLTUJCDFJX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCc1sc(N)nc1C(O)=O
OpenEye OEToolkits 2.0.7CCCCCCCc1c(nc(s1)N)C(=O)O
Name:2-azanyl-5-heptyl-1,3-thiazole-4-carboxylic acid
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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