BioLiP

PDB

BioLiP

PDB CCD ID:

UVQ

Number of entries in BioLiP:

Chemical formula:

C16 H14 F N O3 S

InChI:

InChI=1S/C16H14FNO3S/c17-14-5-8-16-13(10-14)2-1-9-18(16)22(20,21)15-6-3-12(11-19)4-7-15/h3-8,10-11H,1-2,9H2

InChIKey:

HFGLWYIDQNXWJN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(ccc1C=O)S(=O)(=O)N2CCCc3c2ccc(c3)F
CACTVS 3.385	Fc1ccc2N(CCCc2c1)[S](=O)(=O)c3ccc(C=O)cc3

Name:

4-[(6-fluoranyl-3,4-dihydro-2~{H}-quinolin-1-yl)sulfonyl]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).