SEQ2FUN

BioLiP

PDB CCD ID: 363
Number of entries in BioLiP: 2
Chemical formula: C9 H7 N5
InChI: InChI=1S/C9H7N5/c1-2-10-9-7(1)14-8(5-11-9)6-3-12-13-4-6/h1-5H,(H,10,11)(H,12,13)
InChIKey: LTFQPYDMHBLAGZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385[nH]1cc(cn1)c2cnc3[nH]ccc3n2
ACDLabs 12.01n1c3ccnc3ncc1c2cnnc2
OpenEye OEToolkits 1.7.6c1c[nH]c2c1nc(cn2)c3c[nH]nc3
Name:2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine
ChEMBL: CHEMBL3628361
ZINC: ZINC000224512661
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).