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BioLiP Library

PDB CCD ID: A1AJ0
Number of entries in BioLiP: 0
Chemical formula: C9 H9 N3 O2
InChI: InChI=1S/C9H9N3O2/c1-6-2-7-4-11-12(5-8(13)14)9(7)10-3-6/h2-4H,5H2,1H3,(H,13,14)
InChIKey: KICZOAAIQKXMFG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cnc2n(CC(O)=O)ncc2c1
ACDLabs 12.01O=C(O)Cn1ncc2cc(C)cnc21
OpenEye OEToolkits 2.0.7Cc1cc2cnn(c2nc1)CC(=O)O
Name:(5-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
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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