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BioLiP

PDB CCD ID: WHG
Number of entries in BioLiP: 1
Chemical formula: C8 H13 N3 O
InChI: InChI=1S/C8H13N3O/c1-6-12-10-8(1)7-11-4-2-9-3-5-11/h1,6,9H,2-5,7H2
InChIKey: VJMTXOUUYNPWLF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01N2CCN(Cc1ccon1)CC2
CACTVS 3.385C1CN(CCN1)Cc2ccon2
OpenEye OEToolkits 2.0.7c1conc1CN2CCNCC2
Name:1-[(1,2-oxazol-3-yl)methyl]piperazine
ZINC: ZINC000019362177
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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