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BioLiP

PDB CCD ID: AMT
Number of entries in BioLiP: 3
Chemical formula: C3 H4 N2 S
InChI: InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)
InChIKey: RAIPHJJURHTUIC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1csc(n1)N
CACTVS 3.341Nc1sccn1
ACDLabs 10.04n1ccsc1N
Name:2-AMINOTHIAZOLE
ChEMBL: CHEMBL344760
ZINC: ZINC000008579603
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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