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BioLiP

PDB CCD ID: A1H4N
Number of entries in BioLiP: 2
Chemical formula: C4 H3 Cl2 N3
InChI: InChI=1S/C4H3Cl2N3/c5-2-1-8-4(7)3(6)9-2/h1H,(H2,7,8)
InChIKey: AMRVETKYGCRGPJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ncc(Cl)nc1Cl
OpenEye OEToolkits 2.0.7c1c(nc(c(n1)N)Cl)Cl
Name:3,5-bis(chloranyl)pyrazin-2-amine;
HYDROXYETHYLAMINE BACE INHIBITOR
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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