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BioLiP

PDB CCD ID: 362
Number of entries in BioLiP: 2
Chemical formula: C14 H10 N6
InChI: InChI=1S/C14H10N6/c1-2-9(4-15-3-1)11-7-16-14-13(11)20-12(8-17-14)10-5-18-19-6-10/h1-8H,(H,16,17)(H,18,19)
InChIKey: PSBXDBLDXUYIFG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cnc1)c2c[nH]c3c2nc(cn3)c4c[nH]nc4
ACDLabs 12.01n2c4c(c1cccnc1)cnc4ncc2c3cnnc3
CACTVS 3.385[nH]1cc(cn1)c2cnc3[nH]cc(c4cccnc4)c3n2
Name:2-(1H-pyrazol-4-yl)-7-(pyridin-3-yl)-5H-pyrrolo[2,3-b]pyrazine
ChEMBL: CHEMBL3628368
ZINC: ZINC000224490685
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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