SEQ2FUN

BioLiP

PDB CCD ID: FBX
Number of entries in BioLiP: 17
Chemical formula: C16 H18 F N3 O2
InChI: InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)
InChIKey: PCOBBVZJEWWZFR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F
CACTVS 3.385CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N
Name:ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate;
Retigabine, Ezogabine
ChEMBL: CHEMBL41355
DrugBank: DB04953
ZINC: ZINC000000016154
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).