SEQ2FUN

BioLiP

PDB CCD ID: MZK
Number of entries in BioLiP: 2
Chemical formula: C16 H12 F3 N O
InChI: InChI=1S/C16H12F3NO/c17-16(18,19)13-5-1-10(2-6-13)11-3-7-14-12(9-11)4-8-15(21)20-14/h1-3,5-7,9H,4,8H2,(H,20,21)
InChIKey: WNVWLPPJRMIRBG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385FC(F)(F)c1ccc(cc1)c2ccc3NC(=O)CCc3c2
OpenEye OEToolkits 2.0.7c1cc(ccc1c2ccc3c(c2)CCC(=O)N3)C(F)(F)F
Name:6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1~{H}-quinolin-2-one
ChEMBL: CHEMBL1222153
ZINC: ZINC000058582132
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).