BioLiP

PDB

BioLiP

PDB CCD ID:

E8Z

Number of entries in BioLiP:

Chemical formula:

C18 H15 N O3

InChI:

InChI=1S/C18H15NO3/c1-11-7-8-13(9-12(11)2)19-18(21)15-10-22-16-6-4-3-5-14(16)17(15)20/h3-10H,1-2H3,(H,19,21)

InChIKey:

WDCZOLPCRVTBPH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1ccc(cc1C)NC(=O)C2=COc3ccccc3C2=O
CACTVS 3.385	Cc1ccc(NC(=O)C2=COc3ccccc3C2=O)cc1C

Name:

~{N}-(3,4-dimethylphenyl)-4-oxidanylidene-chromene-3-carboxamide

ChEMBL:

CHEMBL4209203

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).