BioLiP

PDB

BioLiP

PDB CCD ID:

UGE

Number of entries in BioLiP:

Chemical formula:

C16 H15 N O3 S

InChI:

InChI=1S/C16H15NO3S/c18-12-13-7-9-15(10-8-13)21(19,20)17-11-3-5-14-4-1-2-6-16(14)17/h1-2,4,6-10,12H,3,5,11H2

InChIKey:

DGDWAMQMUQVWBK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O
CACTVS 3.385	O=Cc1ccc(cc1)[S](=O)(=O)N2CCCc3ccccc23

Name:

4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde

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).