SEQ2FUN

BioLiP

PDB CCD ID: A1II1
Number of entries in BioLiP: 5
Chemical formula: C7 H5 Cl2 N3
InChI: InChI=1S/C7H5Cl2N3/c1-2-4-6(8)12-7(9)5(3-10)11-4/h2H2,1H3
InChIKey: BOMIYODDZMTKBX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCc1c(nc(c(n1)C#N)Cl)Cl
CACTVS 3.385CCc1nc(C#N)c(Cl)nc1Cl
Name:3,5-bis(chloranyl)-6-ethyl-pyrazine-2-carbonitrile
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).