BioLiP

PDB

BioLiP

PDB CCD ID:

HPW

Number of entries in BioLiP:

Chemical formula:

C19 H19 N3 O6 S2

InChI:

InChI=1S/C19H19N3O6S2/c1-29(25,26)20-16-8-15(9-17(12-16)21-30(2,27)28)18-10-14(11-19(23)22(18)24)13-6-4-3-5-7-13/h3-12,20-21,24H,1-2H3

InChIKey:

AKWZUDBNQVPNBK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CS(=O)(=O)Nc1cc(cc(c1)NS(=O)(=O)C)C2=CC(=CC(=O)N2O)c3ccccc3
CACTVS 3.370	C[S](=O)(=O)Nc1cc(N[S](C)(=O)=O)cc(c1)C2=CC(=CC(=O)N2O)c3ccccc3
ACDLabs 12.01	O=C3C=C(c1ccccc1)C=C(c2cc(NS(=O)(=O)C)cc(NS(=O)(=O)C)c2)N3O

Name:

N-[3-(1-Hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide

ZINC:

ZINC000095921406

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).