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BioLiP

PDB CCD ID: HTJ
Number of entries in BioLiP: 2
Chemical formula: C19 H14 N4 O2
InChI: InChI=1S/C19H14N4O2/c24-19(25)15-10-17(14-4-2-1-3-5-14)22-18-16(15)11-21-23(18)12-13-6-8-20-9-7-13/h1-11H,12H2,(H,24,25)
InChIKey: KCTGBSZXRNRGOD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)c2cc(c3cnn(c3n2)Cc4ccncc4)C(=O)O
CACTVS 3.370OC(=O)c1cc(nc2n(Cc3ccncc3)ncc12)c4ccccc4
ACDLabs 12.01O=C(O)c1cc(nc2c1cnn2Cc3ccncc3)c4ccccc4
Name:6-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
ChEMBL: CHEMBL1233436
ZINC: ZINC000003888894
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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