BioLiP

PDB

BioLiP

PDB CCD ID:

FJR

Number of entries in BioLiP:

Chemical formula:

C17 H14 N2 O3

InChI:

InChI=1S/C17H14N2O3/c1-10-5-7-12(8-6-10)19-17(21)13-9-11-3-2-4-14(20)15(11)22-16(13)18/h2-9,18,20H,1H3,(H,19,21)/b18-16-

InChIKey:

SKZQOFVKMNLPBF-VLGSPTGOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccc(cc1)NC(=O)C2=Cc3cccc(c3OC2=N)O
OpenEye OEToolkits 2.0.7	[H]/N=C\1/C(=Cc2cccc(c2O1)O)C(=O)Nc3ccc(cc3)C
CACTVS 3.385	Cc1ccc(NC(=O)C2=Cc3cccc(O)c3OC2=N)cc1

Name:

2-azanylidene-N-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide;
8-hydroxy-2-imino-N-(p-tolyl)-2H-chromene-3-carboxamide

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).