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BioLiP

PDB CCD ID: JRB
Number of entries in BioLiP: 1
Chemical formula: C10 H15 N3
InChI: InChI=1S/C10H15N3/c11-9-3-1-2-4-10(9)13-7-5-12-6-8-13/h1-4,12H,5-8,11H2
InChIKey: TZWRXFPFRACRLO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1c(c(ccc1)N2CCNCC2)N
OpenEye OEToolkits 1.7.6c1ccc(c(c1)N)N2CCNCC2
CACTVS 3.385Nc1ccccc1N2CCNCC2
Name:2-PIPERAZIN-1-YL-ANILINE
ZINC: ZINC000001865784
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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