SEQ2FUN

BioLiP

PDB CCD ID: T7L
Number of entries in BioLiP: 3
Chemical formula: C10 H7 N O2 S
InChI: InChI=1S/C10H7NO2S/c12-10(13)8-6-11-9(14-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChIKey: LCALUFNLWHYTKX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c1cnc(s1)c1ccccc1
CACTVS 3.385OC(=O)c1sc(nc1)c2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ncc(s2)C(=O)O
Name:2-phenyl-1,3-thiazole-5-carboxylic acid
ChEMBL: CHEMBL4572726
ZINC: ZINC000006116819
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).