BioLiP

PDB

BioLiP

PDB CCD ID:

FG4

Number of entries in BioLiP:

Chemical formula:

C21 H17 N O6

InChI:

InChI=1S/C21H17NO6/c1-26-15-6-7-17-14(9-15)10-18(22(17)11-20(23)24)21(25)27-12-16-8-13-4-2-3-5-19(13)28-16/h2-10H,11-12H2,1H3,(H,23,24)

InChIKey:

CKGFVKXFHXZPEW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)OCc3cc4ccccc4o3
CACTVS 3.352	COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)OCc3oc4ccccc4c3
ACDLabs 11.02	O=C(O)Cn1c4ccc(OC)cc4cc1C(=O)OCc3oc2ccccc2c3

Name:

{2-[(1-benzofuran-2-ylmethoxy)carbonyl]-5-methoxy-1H-indol-1-yl}acetic acid

ZINC:

ZINC000058633681

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).