BioLiP

PDB

BioLiP

PDB CCD ID:

E98

Number of entries in BioLiP:

Chemical formula:

C16 H10 F N O3

InChI:

InChI=1S/C16H10FNO3/c17-10-4-3-5-11(8-10)18-16(20)13-9-21-14-7-2-1-6-12(14)15(13)19/h1-9H,(H,18,20)

InChIKey:

OUROIBLACYVZRJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)C(=O)C(=CO2)C(=O)Nc3cccc(c3)F
CACTVS 3.385	Fc1cccc(NC(=O)C2=COc3ccccc3C2=O)c1

Name:

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

ChEMBL:

CHEMBL4203592

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).