BioLiP

PDB

BioLiP

PDB CCD ID:

7CT

Number of entries in BioLiP:

Chemical formula:

C10 H10 N2 O2 S

InChI:

InChI=1S/C10H10N2O2S/c1-11-15(13,14)10-4-2-3-8-7-12-6-5-9(8)10/h2-7,11H,1H3

InChIKey:

NZGWDNMCXFHPJD-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CNS(=O)(=O)c1cccc2c1ccnc2
CACTVS 3.385	CN[S](=O)(=O)c1cccc2cnccc12

Name:

~{N}-methylisoquinoline-5-sulfonamide

ZINC:

ZINC000035587869

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).