BioLiP

PDB

BioLiP

PDB CCD ID:

MIH

Number of entries in BioLiP:

Chemical formula:

C25 H19 Cl2 F2 N3 O

InChI:

InChI=1S/C25H19Cl2F2N3O/c26-19-2-1-3-20(27)23(19)25-24-17(8-11-32(25)33)18(16-5-4-15(28)12-21(16)29)13-22(31-24)14-6-9-30-10-7-14/h1-5,8,11-14,30H,6-7,9-10H2

InChIKey:

WLMGLORLNFEUDG-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	[O-][n+]1ccc2c(cc(nc2c1c3c(Cl)cccc3Cl)C4CCNCC4)c5ccc(F)cc5F
ACDLabs 12.01	Fc1ccc(c(F)c1)c2cc(nc3c2cc[n+]([O-])c3c4c(Cl)cccc4Cl)C5CCNCC5
OpenEye OEToolkits 1.7.0	c1cc(c(c(c1)Cl)c2c3c(cc[n+]2[O-])c(cc(n3)C4CCNCC4)c5ccc(cc5F)F)Cl

Name:

8-(2,6-dichlorophenyl)-4-(2,4-difluorophenyl)-2-piperidin-4-yl-1,7-naphthyridine 7-oxide

ChEMBL:

CHEMBL1738839

ZINC:

ZINC000043193740

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).