BioLiP

PDB

BioLiP

PDB CCD ID:

OVJ

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.385	COc1ccc(Nc2ccc3c(CC(O)=O)coc3c2)cc1
ACDLabs 12.01	c1(ccc(OC)cc1)Nc3ccc2c(occ2CC(=O)O)c3
OpenEye OEToolkits 2.0.7	COc1ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O

Name:

{6-[(4-methoxyphenyl)amino]-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).