SEQ2FUN

BioLiP

PDB CCD ID: 4JT
Number of entries in BioLiP: 2
Chemical formula: C8 H8 N2 S
InChI: InChI=1S/C8H8N2S/c9-8-5-11-7-4-2-1-3-6(7)10-8/h1-4H,5H2,(H2,9,10)
InChIKey: SBZQHWWTOVFQFD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC1=Nc2ccccc2SC1
ACDLabs 12.01
OpenEye OEToolkits 1.9.2		c1ccc2c(c1)N=C(CS2)N
Name:2H-1,4-benzothiazin-3-amine
ChEMBL: CHEMBL3779908
ZINC: ZINC000000336180
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).