SEQ2FUN

BioLiP

PDB CCD ID: ATQ
Number of entries in BioLiP: 2
Chemical formula: C3 H6 N2 S
InChI: InChI=1S/C3H6N2S/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5)
InChIKey: REGFWZVTTFGQOJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC1=NCCS1
ACDLabs 10.04N1=C(SCC1)N
OpenEye OEToolkits 1.5.0C1CSC(=N1)N
Name:2-AMINOTHIAZOLINE
ChEMBL: CHEMBL362148
DrugBank: DB02335
ZINC: ZINC000018354955
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).