SEQ2FUN

BioLiP

PDB CCD ID: LD9
Number of entries in BioLiP: 1
Chemical formula: C16 H13 N O3
InChI: InChI=1S/C16H13NO3/c18-16(19)8-11-10-20-15-9-13(6-7-14(11)15)17-12-4-2-1-3-5-12/h1-7,9-10,17H,8H2,(H,18,19)
InChIKey: OMQCVWMJZNPZAM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O
CACTVS 3.385OC(=O)Cc1coc2cc(Nc3ccccc3)ccc12
ACDLabs 12.01C(O)(Cc2coc3cc(Nc1ccccc1)ccc23)=O
Name:[6-(phenylamino)-1-benzofuran-3-yl]acetic 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).