BioLiP

PDB

BioLiP

PDB CCD ID:

W4X

Number of entries in BioLiP:

Chemical formula:

C22 H15 N O5

InChI:

InChI=1S/C22H15NO5/c24-19-9-7-15(11-20(19)25)23-12-17(21(26)22(27)28)16-10-14(6-8-18(16)23)13-4-2-1-3-5-13/h1-12,24-25H,(H,27,28)

InChIKey:

WKTMYKMXGIXMJJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2ccc3c(c2)c(cn3c4ccc(c(c4)O)O)C(=O)C(=O)O
CACTVS 3.385	OC(=O)C(=O)c1cn(c2ccc(O)c(O)c2)c3ccc(cc13)c4ccccc4

Name:

2-[1-[3,4-bis(oxidanyl)phenyl]-5-phenyl-indol-3-yl]-2-oxidanylidene-ethanoic 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).