BioLiP

PDB

BioLiP

PDB CCD ID:

FJU

Number of entries in BioLiP:

Chemical formula:

C18 H16 N2 O3

InChI:

InChI=1S/C18H16N2O3/c1-2-11-5-3-7-13(9-11)20-18(22)14-10-12-6-4-8-15(21)16(12)23-17(14)19/h3-10,19,21H,2H2,1H3,(H,20,22)/b19-17-

InChIKey:

KJSIIAIZHJYKDK-ZPHPHTNESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCc1cccc(c1)NC(=O)C2=Cc3cccc(c3OC2=N)O
CACTVS 3.385	CCc1cccc(NC(=O)C2=Cc3cccc(O)c3OC2=N)c1
OpenEye OEToolkits 2.0.7	[H]/N=C\1/C(=Cc2cccc(c2O1)O)C(=O)Nc3cccc(c3)CC

Name:

2-azanylidene-N-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide;
N-(3-ethylphenyl)-8-hydroxy-2-imino-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).