BioLiP

PDB

BioLiP

PDB CCD ID:

WRJ

Number of entries in BioLiP:

Chemical formula:

C10 H9 N O2

InChI:

InChI=1S/C10H9NO2/c11-10(12)8-5-7-3-1-2-4-9(7)13-6-8/h1-5H,6H2,(H2,11,12)

InChIKey:

UVEVMKODWDQIAN-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1cccc2c1C=C(C(=O)N)CO2
CACTVS 3.385	NC(=O)C1=Cc2ccccc2OC1
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)C=C(CO2)C(=O)N

Name:

2H-1-benzopyran-3-carboxamide

ZINC:

ZINC000002023861

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).