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BioLiP

PDB CCD ID: WVD
Number of entries in BioLiP: 1
Chemical formula: C9 H11 N3 O2 S
InChI: InChI=1S/C9H11N3O2S/c1-6-8(15-5-11-6)9(14)12-3-2-10-7(13)4-12/h5H,2-4H2,1H3,(H,10,13)
InChIKey: CAIRNMNSCHTAFY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ncsc1C(=O)N2CCNC(=O)C2
OpenEye OEToolkits 2.0.7Cc1c(scn1)C(=O)N2CCNC(=O)C2
ACDLabs 12.01C2NC(=O)CN(C(c1c(C)ncs1)=O)C2
Name:4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one
ZINC: ZINC000046738855
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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