BioLiP

PDB

BioLiP

PDB CCD ID:

P4W

Number of entries in BioLiP:

Chemical formula:

C11 H12 N2 O2 S

InChI:

InChI=1S/C11H12N2O2S/c1-13(2)16(14,15)11-5-3-4-9-8-12-7-6-10(9)11/h3-8H,1-2H3

InChIKey:

MRHJXMWWAQWJDD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(C)S(=O)(=O)c1cccc2c1ccnc2
CACTVS 3.385	CN(C)[S](=O)(=O)c1cccc2cnccc12

Name:

~{N},~{N}-dimethylisoquinoline-5-sulfonamide

ZINC:

ZINC000036662092

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).