SEQ2FUN

BioLiP

PDB CCD ID: 6DQ
Number of entries in BioLiP: 8
Chemical formula: C13 H8 N2 O S
InChI: InChI=1S/C13H8N2OS/c16-12-10-5-1-2-6-11(10)17-13(15-12)9-4-3-7-14-8-9/h1-8H
InChIKey: PKPRJBMZCMHZGS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4c1ccc2c(c1)C(=O)N=C(S2)c3cccnc3
CACTVS 3.385O=C1N=C(Sc2ccccc12)c3cccnc3
Name:2-pyridin-3-yl-1,3-benzothiazin-4-one
ZINC: ZINC000033975875
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).