SEQ2FUN

BioLiP

PDB CCD ID: 36N
Number of entries in BioLiP: 2
Chemical formula: C6 H5 N3
InChI: InChI=1S/C6H5N3/c1-2-8-6-5(1)7-3-4-9-6/h1-4H,(H,8,9)
InChIKey: HFTVJMFWJUFBNO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1c[nH]c2c1nccn2
ACDLabs 12.01n1c2c(ncc1)ccn2
CACTVS 3.385[nH]1ccc2nccnc12
Name:5H-pyrrolo[2,3-b]pyrazine
ChEMBL: CHEMBL3628246
ZINC: ZINC000033844401
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).