BioLiP

PDB

BioLiP

PDB CCD ID:

HPU

Number of entries in BioLiP:

Chemical formula:

C18 H16 N2 O4 S

InChI:

InChI=1S/C18H16N2O4S/c1-25(23,24)19-16-9-5-8-14(10-16)17-11-15(12-18(21)20(17)22)13-6-3-2-4-7-13/h2-12,19,22H,1H3

InChIKey:

MDYXMYBWSBAIMZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	C[S](=O)(=O)Nc1cccc(c1)C2=CC(=CC(=O)N2O)c3ccccc3
ACDLabs 12.01	O=C3C=C(c1ccccc1)C=C(c2cccc(NS(=O)(=O)C)c2)N3O
OpenEye OEToolkits 1.7.6	CS(=O)(=O)Nc1cccc(c1)C2=CC(=CC(=O)N2O)c3ccccc3

Name:

N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide

ZINC:

ZINC000095921437

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).