SEQ2FUN

BioLiP

PDB CCD ID: 4UB
Number of entries in BioLiP: 1
Chemical formula: C15 H11 N5
InChI: InChI=1S/C15H11N5/c1-2-4-11(5-3-1)14-8-17-15-9-16-13(10-20(14)15)12-6-18-19-7-12/h1-10H,(H,18,19)
InChIKey: YCLNNSSAFUQKBC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352[nH]1cc(cn1)c2cn3c(cn2)ncc3c4ccccc4
OpenEye OEToolkits 1.6.1c1ccc(cc1)c2cnc3n2cc(nc3)c4c[nH]nc4
ACDLabs 10.04n3cc2ncc(c1ccccc1)n2cc3c4cnnc4
Name:3-PHENYL-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE
ChEMBL: CHEMBL1172464
ZINC: ZINC000053293742
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).