BioLiP

PDB

BioLiP

PDB CCD ID:

A1IGI

Number of entries in BioLiP:

Chemical formula:

C9 H11 N O2

InChI:

InChI=1S/C9H11NO2/c1-10(2)9(12)7-4-3-5-8(11)6-7/h3-6,11H,1-2H3

InChIKey:

TULKODADVOEVTR-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(C)C(=O)c1cccc(O)c1
OpenEye OEToolkits 2.0.7	CN(C)C(=O)c1cccc(c1)O

Name:

N,N-dimethyl-3-oxidanyl-benzamide

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).