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BioLiP Library

PDB CCD ID: XEZ
Number of entries in BioLiP: 1
Chemical formula: C12 H9 N7
InChI: InChI=1S/C12H9N7/c1-2-15-18-9(1)11-5-14-12-6-13-10(7-19(11)12)8-3-16-17-4-8/h1-7H,(H,15,18)(H,16,17)
InChIKey: ALMSMDKNGFZAEU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352[nH]1ccc(n1)c2cnc3cnc(cn23)c4c[nH]nc4
ACDLabs 10.04n2c3n(c(c1nncc1)c2)cc(nc3)c4cnnc4
OpenEye OEToolkits 1.6.1c1c[nH]nc1c2cnc3n2cc(nc3)c4c[nH]nc4
Name:6-(1H-PYRAZOL-3-YL)-3-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE
ChEMBL: CHEMBL1236804
ZINC: ZINC000058650997
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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