BioLiP

PDB

BioLiP

PDB CCD ID:

1GD

Number of entries in BioLiP:

Chemical formula:

C15 H16 N2 O3 S

InChI:

InChI=1S/C15H16N2O3S/c16-21(19,20)14-8-6-13(7-9-14)11-17-15(18)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)(H2,16,19,20)

InChIKey:

FTDLZZRRCJRQAA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=S(=O)(N)c1ccc(cc1)CNC(=O)Cc2ccccc2
CACTVS 3.370	N[S](=O)(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1
OpenEye OEToolkits 1.7.6	c1ccc(cc1)CC(=O)NCc2ccc(cc2)S(=O)(=O)N

Name:

2-phenyl-N-(4-sulfamoylbenzyl)acetamide

ChEMBL:

CHEMBL574783

ZINC:

ZINC000006864120

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).