BioLiP

PDB

BioLiP

PDB CCD ID:

A1B0C

Number of entries in BioLiP:

Chemical formula:

C15 H14 N4 O

InChI:

InChI=1S/C15H14N4O/c1-2-18-15-11-5-6-17-8-12(11)10-4-3-9(14(16)20)7-13(10)19-15/h3-8H,2H2,1H3,(H2,16,20)(H,18,19)

InChIKey:

LMXWXXMIEIPBAO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CCNc1c2ccncc2c3ccc(cc3n1)C(=O)N
CACTVS 3.385	CCNc1nc2cc(ccc2c3cnccc13)C(N)=O
ACDLabs 14.52	NC(=O)c1cc2nc(NCC)c3ccncc3c2cc1

Name:

5-(ethylamino)benzo[c][2,6]naphthyridine-8-carboxamide

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).