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BioLiP Library

PDB CCD ID: 51I
Number of entries in BioLiP: 2
Chemical formula: C14 H16 N2 O2 S
InChI: InChI=1S/C14H16N2O2S/c1-2-3-9-4-6-10(7-5-9)8-11-12(13(17)18)16-14(15)19-11/h4-7H,2-3,8H2,1H3,(H2,15,16)(H,17,18)
InChIKey: SYFGCASYKCRAIZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCc1ccc(cc1)Cc2c(nc(s2)N)C(=O)O
CACTVS 3.385CCCc1ccc(Cc2sc(N)nc2C(O)=O)cc1
Name:2-azanyl-5-[(4-propylphenyl)methyl]-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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