SEQ2FUN

BioLiP

PDB CCD ID: ZTI
Number of entries in BioLiP: 1
Chemical formula: C8 H7 N3 S
InChI: InChI=1S/C8H7N3S/c9-8-11-7(5-12-8)6-3-1-2-4-10-6/h1-5H,(H2,9,11)
InChIKey: BLKHMTAXNXLDJP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccnc(c1)c2csc(n2)N
CACTVS 3.385Nc1scc(n1)c2ccccn2
Name:4-pyridin-2-yl-1,3-thiazol-2-amine
ChEMBL: CHEMBL3104427
ZINC: ZINC000000813401
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).