SEQ2FUN

BioLiP

PDB CCD ID: F0O
Number of entries in BioLiP: 2
Chemical formula: C4 H2 Cl N O2 S
InChI: InChI=1S/C4H2ClNO2S/c5-4-6-1-2(9-4)3(7)8/h1H,(H,7,8)
InChIKey: HNJOKQPEJIWTRF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1c(sc(n1)Cl)C(=O)O
CACTVS 3.385OC(=O)c1sc(Cl)nc1
Name:2-chloranyl-1,3-thiazole-5-carboxylic acid
ChEMBL: CHEMBL2228305
ZINC: ZINC000001394516
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).