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BioLiP

PDB CCD ID: 5ZX
Number of entries in BioLiP: 10
Chemical formula: C12 H12 N2 O2 S
InChI: InChI=1S/C12H12N2O2S/c13-12-14-10(11(15)16)9(17-12)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,13,14)(H,15,16)
InChIKey: JARXXMAFINZHLY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CCc2c(nc(s2)N)C(=O)O
CACTVS 3.385Nc1sc(CCc2ccccc2)c(n1)C(O)=O
Name:2-azanyl-5-(2-phenylethyl)-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).
  • 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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