BioLiP

PDB

BioLiP

PDB CCD ID:

PV6

Number of entries in BioLiP:

Chemical formula:

C7 H7 N O S

InChI:

InChI=1S/C7H7NOS/c8-7(9)5-3-1-2-4-6(5)10/h1-4,10H,(H2,8,9)

InChIKey:

RIDMSOMIFFTEJO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)C(=O)N)S
ACDLabs 12.01	O=C(N)c1ccccc1S
CACTVS 3.385	NC(=O)c1ccccc1S

Name:

2-sulfanylbenzamide

ZINC:

ZINC000001603710

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).