BioLiP

PDB

BioLiP

PDB CCD ID:

6Q2

Number of entries in BioLiP:

Chemical formula:

C21 H19 N3 O2

InChI:

InChI=1S/C21H19N3O2/c1-26-16-9-5-8-15(12-16)23-19-13-18(14-6-3-2-4-7-14)24-17-10-11-22-21(25)20(17)19/h2-9,12-13H,10-11H2,1H3,(H,22,25)(H,23,24)

InChIKey:

PBJZBHKLXZKPND-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cccc(Nc2cc(nc3CCNC(=O)c23)c4ccccc4)c1
ACDLabs 12.01	c1(cccc(OC)c1)Nc4c2C(=O)NCCc2nc(c3ccccc3)c4
OpenEye OEToolkits 2.0.4	COc1cccc(c1)Nc2cc(nc3c2C(=O)NCC3)c4ccccc4

Name:

4-[(3-methoxyphenyl)amino]-2-phenyl-7,8-dihydro-1,6-naphthyridin-5(6H)-one

ChEMBL:

CHEMBL4064370

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).