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BioLiP

PDB CCD ID: T5J
Number of entries in BioLiP: 1
Chemical formula: C17 H15 F N2 O
InChI: InChI=1S/C17H15FN2O/c1-10-6-7-12(9-13(10)18)19-16-8-11(2)17-14(20-16)4-3-5-15(17)21/h3-9,21H,1-2H3,(H,19,20)
InChIKey: YIACXICIQWGRMA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6Cc1ccc(cc1F)Nc2cc(c3c(n2)cccc3O)C
CACTVS 3.385Cc1ccc(Nc2cc(C)c3c(O)cccc3n2)cc1F
Name:2-(3-fluoro-4-methyl-anilino)-4-methyl-quinolin-5-ol
ZINC: ZINC000004961150
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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