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BioLiP Library

PDB CCD ID: FZ6
Number of entries in BioLiP: 2
Chemical formula: C10 H11 F3 N2 O3
InChI: InChI=1S/C10H11F3N2O3/c11-10(12,13)18-7-3-1-2-6(4-7)15-9(17)8(14)5-16/h1-4,8,16H,5,14H2,(H,15,17)/t8-/m1/s1
InChIKey: QKKNXONMXNVCIX-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@H](CO)C(=O)Nc1cccc(OC(F)(F)F)c1
OpenEye OEToolkits 2.0.7c1cc(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CO)N
CACTVS 3.385N[CH](CO)C(=O)Nc1cccc(OC(F)(F)F)c1
OpenEye OEToolkits 2.0.7c1cc(cc(c1)OC(F)(F)F)NC(=O)C(CO)N
Name:(2R)-2-azanyl-3-oxidanyl-N-[3-(trifluoromethyloxy)phenyl]propanamide
ChEMBL: CHEMBL4747065
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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