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BioLiP

PDB CCD ID: RQN
Number of entries in BioLiP: 1
Chemical formula: C15 H13 F2 N O3
InChI: InChI=1S/C15H13F2NO3/c1-2-8-6-12(19)14(7-10(8)16)21-13-4-3-9(15(18)20)5-11(13)17/h3-7,19H,2H2,1H3,(H2,18,20)
InChIKey: QUHARGDBJJUOEB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCc1cc(c(cc1F)Oc2ccc(cc2F)C(=O)N)O
CACTVS 3.385CCc1cc(O)c(Oc2ccc(cc2F)C(N)=O)cc1F
Name:4-(4-ethyl-5-fluoranyl-2-oxidanyl-phenoxy)-3-fluoranyl-benzamide
ChEMBL: CHEMBL2178284
ZINC: ZINC000043207055
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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