BioLiP

PDB

BioLiP

PDB CCD ID:

TIJ

Number of entries in BioLiP:

Chemical formula:

C24 H17 N O4

InChI:

InChI=1S/C24H17NO4/c26-16-10-20(27)24-21(28)12-22(29-23(24)11-16)18-14-25(13-15-6-2-1-3-7-15)19-9-5-4-8-17(18)19/h1-12,14,26-27H,13H2

InChIKey:

BMIWEBKOGMVKTC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1cc(O)c2C(=O)C=C(Oc2c1)c3cn(Cc4ccccc4)c5ccccc35
OpenEye OEToolkits 2.0.7	c1ccc(cc1)Cn2cc(c3c2cccc3)C4=CC(=O)c5c(cc(cc5O4)O)O

Name:

5,7-bis(oxidanyl)-2-[1-(phenylmethyl)indol-3-yl]chromen-4-one

ChEMBL:

CHEMBL5569276

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).