BioLiP

PDB

BioLiP

PDB CCD ID:

E6H

Number of entries in BioLiP:

Chemical formula:

C8 H8 O Se

InChI:

InChI=1S/C8H8OSe/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)

InChIKey:

QQDFHUJSCFSCKL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cccc(c1)C(=O)[SeH]
CACTVS 3.385	Cc1cccc(c1)C([SeH])=O

Name:

3-methylbenzoselenoate

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).