BioLiP

PDB

BioLiP

PDB CCD ID:

A1AXO

Number of entries in BioLiP:

Chemical formula:

C10 H8 N O2

InChI:

InChI=1S/C10H7NO2/c11-10(12)8-5-1-3-7-4-2-6-13-9(7)8/h1-6H,(H-,11,12)/p+1

InChIKey:

WLJDGPRXZCEFJM-UHFFFAOYSA-O

SMILES:

Software	SMILES
ACDLabs 12.01 CACTVS 3.385	NC(=O)c1cccc2ccc[o+]c12
OpenEye OEToolkits 2.0.7	c1cc2ccc[o+]c2c(c1)C(=O)N

Name:

8-carbamoyl-1-benzopyran-1-ium

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).