BioLiP

PDB

BioLiP

PDB CCD ID:

A1H3W

Number of entries in BioLiP:

Chemical formula:

C18 H20 N2 O3 S

InChI:

InChI=1S/C18H20N2O3S/c1-24(21,22)20-10-9-15-12-19-18-8-7-16(11-17(15)18)23-13-14-5-3-2-4-6-14/h2-8,11-12,19-20H,9-10,13H2,1H3

InChIKey:

AYASNDYDEFBIMX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CS(=O)(=O)NCCc1c[nH]c2c1cc(cc2)OCc3ccccc3
CACTVS 3.385	C[S](=O)(=O)NCCc1c[nH]c2ccc(OCc3ccccc3)cc12

Name:

~{N}-[2-(5-phenylmethoxy-1~{H}-indol-3-yl)ethyl]methanesulfonamide

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).