SEQ2FUN

BioLiP

PDB CCD ID: 5TZ
Number of entries in BioLiP: 4
Chemical formula: C9 H7 N3 O2 S
InChI: InChI=1S/C9H7N3O2S/c10-9-12-7(4-15-9)6-3-5(8(13)14)1-2-11-6/h1-4H,(H2,10,12)(H,13,14)
InChIKey: FAOZNCYQMCTIBT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1scc(n1)c2cc(ccn2)C(O)=O
OpenEye OEToolkits 2.0.4c1cnc(cc1C(=O)O)c2csc(n2)N
Name:2-(2-azanyl-1,3-thiazol-4-yl)pyridine-4-carboxylic acid
ChEMBL: CHEMBL3774692
ZINC: ZINC000082364675
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).