BioLiP

PDB

BioLiP

PDB CCD ID:

QPZ

Number of entries in BioLiP:

Chemical formula:

C18 H18 N2 O3 S

InChI:

InChI=1S/C18H18N2O3S/c1-13-10-18(21)20(2)17-9-8-15(11-16(13)17)24(22,23)19-12-14-6-4-3-5-7-14/h3-11,19H,12H2,1-2H3

InChIKey:

KBXRBUMRPUNHEH-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN1C(=O)C=C(C)c2cc(ccc12)[S](=O)(=O)NCc3ccccc3
OpenEye OEToolkits 2.0.7	CC1=CC(=O)N(c2c1cc(cc2)S(=O)(=O)NCc3ccccc3)C

Name:

1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide

ZINC:

ZINC000004742974

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).