BioLiP

PDB

BioLiP

PDB CCD ID:

A1IDR

Number of entries in BioLiP:

Chemical formula:

C23 H20 N2 O4 S

InChI:

InChI=1S/C23H20N2O4S/c1-25(2)18-13-12-17-14-21(29-20(17)15-18)23(26)24-30(27,28)22-11-7-6-10-19(22)16-8-4-3-5-9-16/h3-15H,1-2H3,(H,24,26)

InChIKey:

ZUWIDJYXRPTMQW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(C)c1ccc2cc(oc2c1)C(=O)NS(=O)(=O)c3ccccc3c4ccccc4
CACTVS 3.385	CN(C)c1ccc2cc(oc2c1)C(=O)N[S](=O)(=O)c3ccccc3c4ccccc4

Name:

6-(dimethylamino)-~{N}-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide

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).