BioLiP

PDB

BioLiP

PDB CCD ID:

ONQ

Number of entries in BioLiP:

Chemical formula:

C10 H12 N2 O3

InChI:

InChI=1S/C10H12N2O3/c1-15-8-4-2-7(3-5-8)10(14)12-6-9(11)13/h2-5H,6H2,1H3,(H2,11,13)(H,12,14)

InChIKey:

ZKADLOGPYJUFCB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccc(cc1)C(=O)NCC(=O)N
CACTVS 3.385	COc1ccc(cc1)C(=O)NCC(N)=O

Name:

~{N}-(2-azanyl-2-oxidanylidene-ethyl)-4-methoxy-benzamide

ZINC:

ZINC000000040120

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).