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BioLiP

PDB CCD ID: OVJ
Number of entries in BioLiP: 1
Chemical formula: C17 H15 N O4
InChI: InChI=1S/C17H15NO4/c1-21-14-5-2-12(3-6-14)18-13-4-7-15-11(8-17(19)20)10-22-16(15)9-13/h2-7,9-10,18H,8H2,1H3,(H,19,20)
InChIKey: MFCXHNGDMBSNNX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COc1ccc(Nc2ccc3c(CC(O)=O)coc3c2)cc1
ACDLabs 12.01c1(ccc(OC)cc1)Nc3ccc2c(occ2CC(=O)O)c3
OpenEye OEToolkits 2.0.7COc1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O
Name:{6-[(4-methoxyphenyl)amino]-1-benzofuran-3-yl}acetic acid
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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