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BioLiP

PDB CCD ID: 9MK
Number of entries in BioLiP: 1
Chemical formula: C17 H12 F N O2
InChI: InChI=1S/C17H12FNO2/c1-10-2-6-14-11(8-10)4-7-15(19-14)17(21)12-3-5-13(18)16(20)9-12/h2-9,20H,1H3
InChIKey: DIBIPWTWYDLKIZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc2nc(ccc2c1)C(=O)c3ccc(F)c(O)c3
OpenEye OEToolkits 2.0.6Cc1ccc2c(c1)ccc(n2)C(=O)c3ccc(c(c3)O)F
Name:(4-fluoranyl-3-oxidanyl-phenyl)-(6-methylquinolin-2-yl)methanone
ChEMBL: CHEMBL4176263
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).
  • 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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