SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

0

Chemical formula:

C14 H16 N2 O3

InChI:

InChI=1S/C14H16N2O3/c1-3-16(4-2)10-6-5-9-7-11(13(15)17)14(18)19-12(9)8-10/h5-8H,3-4H2,1-2H3,(H2,15,17)

InChIKey:

IFINBKWRDJSEGA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.352	CCN(CC)c1ccc2C=C(C(N)=O)C(=O)Oc2c1
OpenEye OEToolkits 1.6.1	CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)C(=O)N

Name:

7-diethylamino-2-oxo-chromene-3-carboxamide

ChEMBL:

ZINC:

ZINC000000347561

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).