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BioLiP Library

PDB CCD ID: XGT
Number of entries in BioLiP: 2
Chemical formula: C17 H13 N O2 S
InChI: InChI=1S/C17H13NO2S/c1-11-6-8-12(9-7-11)16-18-15(10-21-16)13-4-2-3-5-14(13)17(19)20/h2-10H,1H3,(H,19,20)
InChIKey: PFTDCOAFFPGHPH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c1ccccc1c1csc(n1)c1ccc(C)cc1
CACTVS 3.385Cc1ccc(cc1)c2scc(n2)c3ccccc3C(O)=O
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)c2nc(cs2)c3ccccc3C(=O)O
Name:(2M)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]benzoic 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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