BioLiP

PDB

BioLiP

PDB CCD ID:

265

Number of entries in BioLiP:

Chemical formula:

C4 H3 N O2 S

InChI:

InChI=1S/C4H3NO2S/c6-5(7)4-2-1-3-8-4/h1-3H

InChIKey:

JIZRGGUCOQKGQD-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04 CACTVS 3.341	[O-][N+](=O)c1sccc1
OpenEye OEToolkits 1.5.0	c1cc(sc1)[N+](=O)[O-]

Name:

2-nitrothiophene

ZINC:

ZINC000001680876

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).