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BioLiP

PDB CCD ID: YPO
Number of entries in BioLiP: 1
Chemical formula: C18 H17 F3 N2 O2
InChI: InChI=1S/C18H17F3N2O2/c1-11(24)23-16-8-5-13(10-15(16)22)17(25)9-4-12-2-6-14(7-3-12)18(19,20)21/h2-3,5-8,10H,4,9,22H2,1H3,(H,23,24)
InChIKey: NRSSDQYXMLRGOQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(=O)Nc1ccc(cc1N)C(=O)CCc2ccc(cc2)C(F)(F)F
ACDLabs 12.01O=C(C)Nc1ccc(cc1N)C(=O)CCc1ccc(cc1)C(F)(F)F
Name:N-(2-amino-4-{3-[4-(trifluoromethyl)phenyl]propanoyl}phenyl)acetamide
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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