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BioLiP

PDB CCD ID: QDI
Number of entries in BioLiP: 1
Chemical formula: C9 H7 F N2
InChI: InChI=1S/C9H7FN2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H,(H2,11,12)
InChIKey: HDANYIGFTBVIBA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ccnc2ccc(F)cc12
ACDLabs 12.01Fc1ccc2nccc(N)c2c1
OpenEye OEToolkits 2.0.7c1cc2c(cc1F)c(ccn2)N
Name:6-fluoroquinolin-4-amine
ZINC: ZINC000002548526
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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