SEQ2FUN

BioLiP

PDB CCD ID: YCV
Number of entries in BioLiP: 1
Chemical formula: C19 H19 N3 O4
InChI: InChI=1S/C19H19N3O4/c1-22(2)18(24)11-26-19-13(10-23)7-12(8-17(19)25-3)14-5-4-6-16-15(14)9-20-21-16/h4-10H,11H2,1-3H3,(H,20,21)
InChIKey: LDHIKLLVVUEYPE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1cc(cc(C=O)c1OCC(=O)N(C)C)c2cccc3[nH]ncc23
OpenEye OEToolkits 2.0.7CN(C)C(=O)COc1c(cc(cc1OC)c2cccc3c2cn[nH]3)C=O
Name:2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide
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).