BioLiP

PDB

BioLiP

PDB CCD ID:

ODL

Number of entries in BioLiP:

Chemical formula:

C20 H19 N O4 S

InChI:

InChI=1S/C20H19NO4S/c22-19-11-10-17(13-20(19)23)12-15-6-8-16(9-7-15)14-21-26(24,25)18-4-2-1-3-5-18/h1-11,13,21-23H,12,14H2

InChIKey:

QNXMAYYQTOPLQV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1ccc(Cc2ccc(CN[S](=O)(=O)c3ccccc3)cc2)cc1O
OpenEye OEToolkits 2.0.7	c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)Cc3ccc(c(c3)O)O
ACDLabs 12.01	O=S(=O)(NCc1ccc(Cc2ccc(O)c(O)c2)cc1)c1ccccc1

Name:

N-({4-[(3,4-dihydroxyphenyl)methyl]phenyl}methyl)benzenesulfonamide

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).