BioLiP

PDB

BioLiP

PDB CCD ID:

XPI

Number of entries in BioLiP:

Chemical formula:

C19 H20 N2 O7 S

InChI:

InChI=1S/C19H20N2O7S/c1-25-15-10-18(27-3)17(26-2)8-13(15)16-9-14(19(22)28-16)21-11-4-6-12(7-5-11)29(20,23)24/h4-10,16,21H,1-3H3,(H2,20,23,24)/t16-/m1/s1

InChIKey:

UWPJANIOFXYDOC-MRXNPFEDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cc(OC)c(cc1OC)[C@@H]2OC(=O)C(=C2)Nc3ccc(cc3)[S](N)(=O)=O
OpenEye OEToolkits 2.0.7	COc1cc(c(cc1OC)OC)C2C=C(C(=O)O2)Nc3ccc(cc3)S(=O)(=O)N
CACTVS 3.385	COc1cc(OC)c(cc1OC)[CH]2OC(=O)C(=C2)Nc3ccc(cc3)[S](N)(=O)=O
OpenEye OEToolkits 2.0.7	COc1cc(c(cc1OC)OC)[C@H]2C=C(C(=O)O2)Nc3ccc(cc3)S(=O)(=O)N

Name:

4-[[(2~{R})-5-oxidanylidene-2-(2,4,5-trimethoxyphenyl)-2~{H}-furan-4-yl]amino]benzenesulfonamide

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).