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BioLiP Library

PDB CCD ID: 5ZM
Number of entries in BioLiP: 1
Chemical formula: C16 H14 F N O
InChI: InChI=1S/C16H14FNO/c1-16(2)13-9-11(5-8-14(13)18-15(16)19)10-3-6-12(17)7-4-10/h3-9H,1-2H3,(H,18,19)
InChIKey: VXOIAVBQYFDIBS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC1(c2cc(ccc2NC1=O)c3ccc(cc3)F)C
CACTVS 3.385CC1(C)C(=O)Nc2ccc(cc12)c3ccc(F)cc3
Name:5-(4-FLUOROPHENYL)-3,3-DIMETHYL-INDOLIN-2-ONE
ZINC: ZINC000041325230
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)(download the PDF file).
  • 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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