BioLiP

PDB

BioLiP

PDB CCD ID:

RZJ

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2 O2 S

InChI:

InChI=1S/C10H14N2O2S/c1-12-6-2-3-8-4-5-9(7-10(8)12)15(11,13)14/h4-5,7H,2-3,6H2,1H3,(H2,11,13,14)

InChIKey:

OUJFDUTZTPBMDN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CN1CCCc2c1cc(cc2)S(=O)(=O)N
CACTVS 3.385	CN1CCCc2ccc(cc12)[S](N)(=O)=O

Name:

1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide

ZINC:

ZINC000074941908

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).