BioLiP

PDB

BioLiP

PDB CCD ID:

LBQ

Number of entries in BioLiP:

Chemical formula:

C11 H12 N2 O3 S

InChI:

InChI=1S/C11H12N2O3S/c12-17(14,15)11-5-3-9(4-6-11)13-8-10-2-1-7-16-10/h1-7,13H,8H2,(H2,12,14,15)

InChIKey:

GTFXUNQMJHDIRE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(oc1)CNc2ccc(cc2)S(=O)(=O)N
CACTVS 3.385	N[S](=O)(=O)c1ccc(NCc2occc2)cc1

Name:

4-(furan-2-ylmethylamino)benzenesulfonamide

ZINC:

ZINC000019915549

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).