BioLiP

PDB

BioLiP

PDB CCD ID:

A1BV8

Number of entries in BioLiP:

Chemical formula:

C26 H27 Cl N4 O2

InChI:

InChI=1S/C26H27ClN4O2/c1-18-5-4-6-24(29-18)19-7-8-21(23(27)16-19)22-15-20-17-28-10-9-25(20)31(26(22)32)12-14-33-13-11-30(2)3/h4-10,15-17H,11-14H2,1-3H3

InChIKey:

NPOXYSJSLYNRSE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	Cc1cccc(n1)c2ccc(c(c2)Cl)C3=Cc4cnccc4N(C3=O)CCOCCN(C)C
CACTVS 3.385	CN(C)CCOCCN1C(=O)C(=Cc2cnccc12)c3ccc(cc3Cl)c4cccc(C)n4
ACDLabs 14.52	Cc1cccc(n1)c1ccc(C2=Cc3cnccc3N(CCOCCN(C)C)C2=O)c(Cl)c1

Name:

(3M)-3-[(4P)-2-chloro-4-(6-methylpyridin-2-yl)phenyl]-1-{2-[2-(dimethylamino)ethoxy]ethyl}-1,6-naphthyridin-2(1H)-one

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).