SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C19 H14 F N O3

InChI:

InChI=1S/C19H14FNO3/c1-11-9-12(6-8-17(11)22)15-3-2-4-16(21-15)19(24)13-5-7-14(20)18(23)10-13/h2-10,22-23H,1H3

InChIKey:

QDDLZOOWBSJEFI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	Cc1cc(ccc1O)c2cccc(n2)C(=O)c3ccc(c(c3)O)F
CACTVS 3.385	Cc1cc(ccc1O)c2cccc(n2)C(=O)c3ccc(F)c(O)c3

Name:

(4-fluoranyl-3-oxidanyl-phenyl)-[6-(3-methyl-4-oxidanyl-phenyl)pyridin-2-yl]methanone

ChEMBL:

ZINC:

ZINC000073200418

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).