BioLiP

PDB

BioLiP

PDB CCD ID:

WWV

Number of entries in BioLiP:

Chemical formula:

C16 H19 N3 O3 S

InChI:

InChI=1S/C16H19N3O3S/c1-11(2)14-5-3-4-6-15(14)19-16(20)18-12-7-9-13(10-8-12)23(17,21)22/h3-11H,1-2H3,(H2,17,21,22)(H2,18,19,20)

InChIKey:

NCAVVYYIUQIEED-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CC(C)c1ccccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N
CACTVS 3.370	CC(C)c1ccccc1NC(=O)Nc2ccc(cc2)[S](N)(=O)=O
ACDLabs 12.01	O=S(=O)(N)c2ccc(NC(=O)Nc1ccccc1C(C)C)cc2

Name:

4-({[2-(1-methylethyl)phenyl]carbamoyl}amino)benzenesulfonamide

ChEMBL:

CHEMBL1615280

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).