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BioLiP

PDB CCD ID: YVQ
Number of entries in BioLiP: 1
Chemical formula: C17 H12 N6
InChI: InChI=1S/C17H12N6/c1-2-4-14-12(3-1)13(7-18-14)16-8-20-17-9-19-15(10-23(16)17)11-5-21-22-6-11/h1-10,18H,(H,21,22)
InChIKey: ZCWUDZOATSSBCE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352[nH]1cc(cn1)c2cn3c(cn2)ncc3c4c[nH]c5ccccc45
OpenEye OEToolkits 1.6.1c1ccc2c(c1)c(c[nH]2)c3cnc4n3cc(nc4)c5c[nH]nc5
ACDLabs 10.04n1ncc(c1)c4ncc5ncc(c3c2ccccc2nc3)n5c4
Name:3-(1H-INDOL-3-YL)-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE
ChEMBL: CHEMBL1170126
ZINC: ZINC000053295725
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).
  • 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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