SEQ2FUN

BioLiP

PDB CCD ID: 24T
Number of entries in BioLiP: 1
Chemical formula: C4 H6 N2 S
InChI: InChI=1S/C4H6N2S/c1-3-2-7-4(5)6-3/h2H,1H3,(H2,5,6)
InChIKey: OUQMXTJYCAJLGO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Cc1csc(N)n1
ACDLabs 10.04n1c(csc1N)C
OpenEye OEToolkits 1.5.0Cc1csc(n1)N
Name:2-AMINO-4-METHYLTHIAZOLE
ChEMBL: CHEMBL505019
ZINC: ZINC000005438431
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).