BioLiP

PDB

BioLiP

PDB CCD ID:

U8K

Number of entries in BioLiP:

Chemical formula:

C12 H10 N2 O4 S

InChI:

InChI=1S/C12H10N2O4S/c15-12(16)11-10(7-4-8-13-11)14-19(17,18)9-5-2-1-3-6-9/h1-8,14H,(H,15,16)

InChIKey:

HOBWUTFQJLTDSS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1ncccc1N[S](=O)(=O)c2ccccc2
OpenEye OEToolkits 2.0.6	c1ccc(cc1)S(=O)(=O)Nc2cccnc2C(=O)O

Name:

3-(phenylsulfonylamino)pyridine-2-carboxylic acid

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).