BioLiP

PDB

BioLiP

PDB CCD ID:

BJK

Number of entries in BioLiP:

Chemical formula:

C8 H12 N O2

InChI:

InChI=1S/C8H11NO2/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,10H,5,9H2,1H3/p+1

InChIKey:

HJIDMVZCXORAIG-UHFFFAOYSA-O

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccc(C[NH3+])cc1O
OpenEye OEToolkits 2.0.6	COc1ccc(cc1O)C[NH3+]

Name:

(4-methoxy-3-oxidanyl-phenyl)methylazanium

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).