BioLiP

PDB

BioLiP

PDB CCD ID:

FF5

Number of entries in BioLiP:

Chemical formula:

C19 H24 N4 O5 S

InChI:

InChI=1S/C19H24N4O5S/c1-14(24)21-12-2-3-13-28-17-8-4-15(5-9-17)22-19(25)23-16-6-10-18(11-7-16)29(20,26)27/h4-11H,2-3,12-13H2,1H3,(H,21,24)(H2,20,26,27)(H2,22,23,25)

InChIKey:

CDBPPECJGAINPA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)NCCCCOc1ccc(NC(=O)Nc2ccc(cc2)[S](N)(=O)=O)cc1
OpenEye OEToolkits 2.0.6	CC(=O)NCCCCOc1ccc(cc1)NC(=O)Nc2ccc(cc2)S(=O)(=O)N

Name:

~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]ethanamide

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).