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BioLiP

PDB CCD ID: 95L
Number of entries in BioLiP: 2
Chemical formula: C10 H9 F N4 O
InChI: InChI=1S/C10H9FN4O/c11-5-1-2-8-6(3-5)9(12)7(4-14-8)10(16)15-13/h1-4H,13H2,(H2,12,14)(H,15,16)
InChIKey: AJDQMOZVNBPAQN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc2c(cc1F)c(c(cn2)C(=O)NN)N
CACTVS 3.385NNC(=O)c1cnc2ccc(F)cc2c1N
ACDLabs 12.01NNC(=O)c2cnc1ccc(cc1c2N)F
Name:4-amino-6-fluoroquinoline-3-carbohydrazide
ZINC: ZINC000019702770
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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