BioLiP

PDB

BioLiP

PDB CCD ID:

N84

Number of entries in BioLiP:

Chemical formula:

C13 H14 N4 O4 S

InChI:

InChI=1S/C13H14N4O4S/c14-22(20,21)10-1-2-12(18)11(7-10)17-13(19)16-8-9-3-5-15-6-4-9/h1-7,18H,8H2,(H2,14,20,21)(H2,16,17,19)

InChIKey:

QHMKXYXSZRKDAT-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1cc(cc(c1O)NC(NCc2ccncc2)=O)S(N)(=O)=O
OpenEye OEToolkits 2.0.7	c1cc(c(cc1S(=O)(=O)N)NC(=O)NCc2ccncc2)O
CACTVS 3.385	N[S](=O)(=O)c1ccc(O)c(NC(=O)NCc2ccncc2)c1

Name:

4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide

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).