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BioLiP

PDB CCD ID: G2U
Number of entries in BioLiP: 1
Chemical formula: C15 H16 N4 O3 S
InChI: InChI=1S/C15H16N4O3S/c1-7-13(9(3)20)8(2)17-14(7)10-6-23-11(18-10)5-19-12(21)4-16-15(19)22/h6,17H,4-5H2,1-3H3,(H,16,22)
InChIKey: XGIZTMPAAINKGM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)c1c(C)[nH]c(c1C)c2csc(CN3C(=O)CNC3=O)n2
OpenEye OEToolkits 2.0.7Cc1c(c([nH]c1c2csc(n2)CN3C(=O)CNC3=O)C)C(=O)C
Name:3-[[4-(4-ethanoyl-3,5-dimethyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione
ChEMBL: CHEMBL5183618
ZINC: ZINC000058191615
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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