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BioLiP Library

PDB CCD ID: YN8
Number of entries in BioLiP: 1
Chemical formula: C19 H14 Cl F N4 O
InChI: InChI=1S/C19H14ClFN4O/c1-24-9-12-11-7-14(21)13(20)8-16(11)25(19(26)18(12)23-24)15-3-2-6-22-17(15)10-4-5-10/h2-3,6-10H,4-5H2,1H3
InChIKey: LJPOSFHRBZRBMV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1cc2c3cc(F)c(Cl)cc3N(C(=O)c2n1)c4cccnc4C5CC5
OpenEye OEToolkits 2.0.7Cn1cc-2c(n1)C(=O)N(c3c2cc(c(c3)Cl)F)c4cccnc4C5CC5
Name:7-chloranyl-5-(2-cyclopropylpyridin-3-yl)-8-fluoranyl-2-methyl-pyrazolo[3,4-c]quinolin-4-one
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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