BioLiP

PDB

BioLiP

PDB CCD ID:

7TN

Number of entries in BioLiP:

Chemical formula:

C17 H14 N2 O6 S

InChI:

InChI=1S/C17H14N2O6S/c1-26(22,23)19-13-8-15-12(17(21)14(9-24-15)18-10-20)7-16(13)25-11-5-3-2-4-6-11/h2-10,19H,1H3,(H,18,20)

InChIKey:

ANMATWQYLIFGOK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CS(=O)(=O)Nc1cc2c(cc1Oc3ccccc3)C(=O)C(=CO2)NC=O
ACDLabs 12.01	CS(=O)(=O)Nc1cc2OC=C(NC=O)C(=O)c2cc1Oc1ccccc1
CACTVS 3.385	C[S](=O)(=O)Nc1cc2OC=C(NC=O)C(=O)c2cc1Oc3ccccc3

Name:

Iguratimod;
T 614;
T-614;
T614;
N-(7-(Methylsulfonamido)-4-oxo-6-phenoxy-4H-chromen-3-yl)formamide;
Careram;
Kolbet

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).