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BioLiP

PDB CCD ID: 9U2
Number of entries in BioLiP: 0
Chemical formula: C7 H9 N O S
InChI: InChI=1S/C7H9NOS/c1-5(2)7-6(3-9)8-4-10-7/h3-5H,1-2H3
InChIKey: ZNCIEQFZRKIVOL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(C)c1c(ncs1)C=O
CACTVS 3.385CC(C)c1scnc1C=O
Name:5-propan-2-yl-1,3-thiazole-4-carbaldehyde
ZINC: ZINC000038292515
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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