BioLiP

PDB

BioLiP

PDB CCD ID:

H1X

Number of entries in BioLiP:

Chemical formula:

C18 H21 N O4 S

InChI:

InChI=1S/C18H21NO4S/c1-12-9-10-13(18(2,3)4)11-16(12)24(22,23)19-15-8-6-5-7-14(15)17(20)21/h5-11,19H,1-4H3,(H,20,21)

InChIKey:

FUWMRGQUYIVRDW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1ccc(cc1S(=O)(=O)Nc2ccccc2C(=O)O)C(C)(C)C
CACTVS 3.385	Cc1ccc(cc1[S](=O)(=O)Nc2ccccc2C(O)=O)C(C)(C)C

Name:

2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid

ZINC:

ZINC000003243185

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).