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BioLiP

PDB CCD ID: 25T
Number of entries in BioLiP: 6
Chemical formula: C4 H7 N2 S
InChI: InChI=1S/C4H6N2S/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)/p+1
InChIKey: GUABFMPMKJGSBQ-UHFFFAOYSA-O
SMILES:
SoftwareSMILES
CACTVS 3.341Cc1sc(N)[nH+]c1
ACDLabs 10.04s1c(c[nH+]c1N)C
OpenEye OEToolkits 1.5.0Cc1c[nH+]c(s1)N
Name:2-AMINO-5-METHYLTHIAZOLE
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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