BioLiP

PDB

BioLiP

PDB CCD ID:

A1H4I

Number of entries in BioLiP:

Chemical formula:

C9 H10 N2 O2 S

InChI:

InChI=1S/C9H10N2O2S/c1-14(12,13)11-8-4-2-3-7-5-6-10-9(7)8/h2-6,10-11H,1H3

InChIKey:

MEWQFKSUHJZGCA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CS(=O)(=O)Nc1cccc2c1[nH]cc2
CACTVS 3.385	C[S](=O)(=O)Nc1cccc2cc[nH]c12

Name:

N-(1H-indol-7-yl)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).