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BioLiP

PDB CCD ID: 7Q0
Number of entries in BioLiP: 8
Chemical formula: C19 H15 F N2 O
InChI: InChI=1S/C19H15FN2O/c20-14-8-6-12(7-9-14)19(23)22-18-15-3-1-2-11-4-5-13(17(11)15)10-16(18)21/h1-3,6-10H,4-5,21H2,(H,22,23)
InChIKey: XFOBJVGGSATXHM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1cc2CCc3cccc(c1NC(=O)c4ccc(F)cc4)c23
OpenEye OEToolkits 2.0.7c1cc2c3c(c1)c(c(cc3CC2)N)NC(=O)c4ccc(cc4)F
Name:N-(4-azanyl-1,2-dihydroacenaphthylen-5-yl)-4-fluoranyl-benzamide
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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