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BioLiP

PDB CCD ID: A1BFD
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N3 O2 S
InChI: InChI=1S/C9H11N3O2S/c13-7(11-9-10-3-5-15-9)6-12-4-1-2-8(12)14/h3,5H,1-2,4,6H2,(H,10,11,13)
InChIKey: JHZYBLIEJWESOZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52O=C(CN1CCCC1=O)Nc1nccs1
OpenEye OEToolkits 3.1.0.0c1csc(n1)NC(=O)CN2CCCC2=O
CACTVS 3.385O=C(CN1CCCC1=O)Nc2sccn2
Name:2-(2-oxopyrrolidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
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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