SEQ2FUN

BioLiP

PDB CCD ID: ZUF
Number of entries in BioLiP: 1
Chemical formula: C13 H9 Cl N4 S
InChI: InChI=1S/C13H9ClN4S/c14-9-4-5-12(16-7-9)18-13-17-11(8-19-13)10-3-1-2-6-15-10/h1-8H,(H,16,17,18)
InChIKey: XIMLXPRKZACEAD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccc(Nc2scc(n2)c3ccccn3)nc1
OpenEye OEToolkits 2.0.6c1ccnc(c1)c2csc(n2)Nc3ccc(cn3)Cl
Name:~{N}-(5-chloranylpyridin-2-yl)-4-pyridin-2-yl-1,3-thiazol-2-amine
ChEMBL: CHEMBL546826
ZINC: ZINC000000613579
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).