BioLiP

PDB

BioLiP

PDB CCD ID:

N8A

Number of entries in BioLiP:

Chemical formula:

C14 H16 N4 O4 S

InChI:

InChI=1S/C14H16N4O4S/c15-23(21,22)11-4-5-13(19)12(9-11)18-14(20)17-8-6-10-3-1-2-7-16-10/h1-5,7,9,19H,6,8H2,(H2,15,21,22)(H2,17,18,20)

InChIKey:

BTQJGTGBPQIYNN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[S](=O)(=O)c1ccc(O)c(NC(=O)NCCc2ccccn2)c1
ACDLabs 12.01	c1cccnc1CCNC(Nc2cc(ccc2O)S(=O)(=O)N)=O
OpenEye OEToolkits 2.0.7	c1ccnc(c1)CCNC(=O)Nc2cc(ccc2O)S(=O)(=O)N

Name:

4-hydroxy-3-({[2-(pyridin-2-yl)ethyl]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).