SEQ2FUN

BioLiP

PDB CCD ID: 7F9
Number of entries in BioLiP: 2
Chemical formula: C18 H20 N2 O5
InChI: InChI=1S/C18H20N2O5/c1-3-19-17(23)11-20(12-4-7-14(25-2)8-5-12)18(24)15-9-6-13(21)10-16(15)22/h4-10,21-22H,3,11H2,1-2H3,(H,19,23)
InChIKey: YRTAPVLIGYRBPY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCNC(=O)CN(c1ccc(cc1)OC)C(=O)c2ccc(cc2O)O
CACTVS 3.385CCNC(=O)CN(C(=O)c1ccc(O)cc1O)c2ccc(OC)cc2
Name:~{N}-[2-(ethylamino)-2-oxidanylidene-ethyl]-~{N}-(4-methoxyphenyl)-2,4-bis(oxidanyl)benzamide
ChEMBL: CHEMBL4072775
ZINC: ZINC000584905476
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).