BioLiP

PDB

BioLiP

PDB CCD ID:

P9E

Number of entries in BioLiP:

Chemical formula:

C7 H6 N2 O3 S2

InChI:

InChI=1S/C7H6N2O3S2/c8-14(10,11)4-1-2-6-5(3-4)9-7(13)12-6/h1-3H,(H,9,13)(H2,8,10,11)

InChIKey:

SCMGHROIQYCXRC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[S](=O)(=O)c1ccc2OC(=S)Nc2c1
OpenEye OEToolkits 2.0.7	c1cc2c(cc1S(=O)(=O)N)NC(=S)O2

Name:

2-sulfanylidene-3~{H}-1,3-benzoxazole-5-sulfonamide

ZINC:

ZINC000034925135

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).