BioLiP

PDB

BioLiP

PDB CCD ID:

5CX

Number of entries in BioLiP:

Chemical formula:

C15 H17 N O2 S

InChI:

InChI=1S/C15H17NO2S/c1-11(2)14-5-3-4-6-15(14)12-7-9-13(10-8-12)19(16,17)18/h3-11H,1-2H3,(H2,16,17,18)

InChIKey:

IRABTZHXKCTBRE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CC(C)c1ccccc1c2ccc(cc2)S(=O)(=O)N
ACDLabs 12.01	S(=O)(N)(=O)c1ccc(cc1)c2ccccc2C(C)C
CACTVS 3.385	CC(C)c1ccccc1c2ccc(cc2)[S](N)(=O)=O

Name:

2'-(propan-2-yl)biphenyl-4-sulfonamide

ChEMBL:

CHEMBL3763192

ZINC:

ZINC000263620564

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).