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BioLiP Library

PDB CCD ID: 535
Number of entries in BioLiP: 4
Chemical formula: C9 H10 N2 O2 S
InChI: InChI=1S/C9H10N2O2S/c1-3-13-8(12)7-6(2)11-5-4-10-9(11)14-7/h4-5H,3H2,1-2H3
InChIKey: LBBSFTFSJPJBTL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352CCOC(=O)c1sc2nccn2c1C
ACDLabs 11.02O=C(OCC)c1sc2nccn2c1C
OpenEye OEToolkits 1.7.0CCOC(=O)c1c(n2ccnc2s1)C
Name:ethyl 3-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole-2-carboxylate;
ethyl 3-methylimidazo[2,1-b][1,3]thiazole-2-carboxylate
ZINC: ZINC000034369649
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)(download the PDF file).
  • 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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