BioLiP

PDB

BioLiP

PDB CCD ID:

6LU

Number of entries in BioLiP:

Chemical formula:

C15 H17 N3 O3 S

InChI:

InChI=1S/C15H17N3O3S/c1-10-7-11(2)9-13(8-10)18-15(19)17-12-3-5-14(6-4-12)22(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)

InChIKey:

SPEYBQKWONGMOH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	Cc1cc(cc(c1)NC(=O)Nc2ccc(cc2)S(=O)(=O)N)C
ACDLabs 12.01	Cc1cc(cc(c1)C)NC(=O)Nc2ccc(S(=O)(=O)N)cc2
CACTVS 3.385	Cc1cc(C)cc(NC(=O)Nc2ccc(cc2)[S](N)(=O)=O)c1

Name:

4-{[(3,5-dimethylphenyl)carbamoyl]amino}benzene-1-sulfonamide

ChEMBL:

CHEMBL1643306

ZINC:

ZINC000018172548

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).