SEQ2FUN

BioLiP

PDB CCD ID: 795
Number of entries in BioLiP: 1
Chemical formula: C9 H6 N2 O S
InChI: InChI=1S/C9H6N2OS/c12-5-8-6-13-9(11-8)7-2-1-3-10-4-7/h1-6H
InChIKey: UTFHURULTRKXDB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(cnc1)c2nc(cs2)C=O
CACTVS 3.370O=Cc1csc(n1)c2cccnc2
ACDLabs 12.01O=Cc1nc(sc1)c2cnccc2
Name:2-(pyridin-3-yl)-1,3-thiazole-4-carbaldehyde
ZINC: ZINC000019723119
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).