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BioLiP

PDB CCD ID: SQG
Number of entries in BioLiP: 1
Chemical formula: C10 H7 F3 N2 O2
InChI: InChI=1S/C10H7F3N2O2/c11-10(12,13)17-8-3-1-7(2-4-8)15-9(16)5-6-14/h1-4H,5H2,(H,15,16)
InChIKey: RCYAMEKUNPRZAA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385FC(F)(F)Oc1ccc(NC(=O)CC#N)cc1
OpenEye OEToolkits 2.0.6c1cc(ccc1NC(=O)CC#N)OC(F)(F)F
Name:2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide
ZINC: ZINC000000999680
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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