BioLiP

PDB

BioLiP

PDB CCD ID:

QXF

Number of entries in BioLiP:

Chemical formula:

C14 H15 Cl N4 O3 S

InChI:

InChI=1S/C14H15ClN4O3S/c1-23(21,22)19(13-4-2-3-11(15)7-13)9-12-6-5-10(8-17-12)14(20)18-16/h2-8H,9,16H2,1H3,(H,18,20)

InChIKey:

SBSZNKFUDSVSJK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[S](=O)(=O)N(Cc1ccc(cn1)C(=O)NN)c2cccc(Cl)c2
OpenEye OEToolkits 2.0.7	CS(=O)(=O)N(Cc1ccc(cn1)C(=O)NN)c2cccc(c2)Cl

Name:

~{N}-[[5-(aminocarbamoyl)pyridin-2-yl]methyl]-~{N}-(3-chlorophenyl)methanesulfonamide

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).