SEQ2FUN

BioLiP

PDB CCD ID: 80Q
Number of entries in BioLiP: 1
Chemical formula: C11 H13 F3 N2 O
InChI: InChI=1S/C11H13F3N2O/c12-11(13,14)8-1-2-10(16-7-8)17-9-3-5-15-6-4-9/h1-2,7,9,15H,3-6H2
InChIKey: KUDNJELAUXSOIL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385FC(F)(F)c1ccc(OC2CCNCC2)nc1
OpenEye OEToolkits 1.7.6c1cc(ncc1C(F)(F)F)OC2CCNCC2
Name:2-piperidin-4-yloxy-5-(trifluoromethyl)pyridine
ChEMBL: CHEMBL4536175
ZINC: ZINC000042783023
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).