SEQ2FUN

BioLiP

PDB CCD ID: NFI
Number of entries in BioLiP: 1
Chemical formula: C20 H17 N O5
InChI: InChI=1S/C20H17NO5/c1-12-15-11-14(7-9-17(15)26-19(12)20(24)25)21-18(23)10-8-16(22)13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H,21,23)(H,24,25)
InChIKey: ZXQOBDSXROLOQK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1c2cc(ccc2oc1C(=O)O)NC(=O)CCC(=O)c3ccccc3
CACTVS 3.385Cc1c(oc2ccc(NC(=O)CCC(=O)c3ccccc3)cc12)C(O)=O
Name:3-methyl-5-[(4-oxidanylidene-4-phenyl-butanoyl)amino]-1-benzofuran-2-carboxylic acid
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).