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BioLiP

PDB CCD ID: QIA
Number of entries in BioLiP: 2
Chemical formula: C19 H14 N4 O2
InChI: InChI=1S/C19H14N4O2/c24-19(25)13-6-7-14-15-10-20-11-22-17(15)18(23-16(14)8-13)21-9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,21,23)(H,24,25)
InChIKey: HEVVNKYNJCSHFA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1ccc(cc1)CNc2c3c(cncn3)c4ccc(cc4n2)C(=O)O
CACTVS 3.385OC(=O)c1ccc2c(c1)nc(NCc3ccccc3)c4ncncc24
Name:5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid
ChEMBL: CHEMBL5288779
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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