BioLiP

PDB

BioLiP

PDB CCD ID:

A1B0J

Number of entries in BioLiP:

Chemical formula:

C16 H15 N5 O2

InChI:

InChI=1S/C16H15N5O2/c17-15(23)10-1-2-11-13-8-18-4-3-12(13)16(21-14(11)7-10)20-6-5-19-9-22/h1-4,7-9H,5-6H2,(H2,17,23)(H,19,22)(H,20,21)

InChIKey:

IQHZYBCZKRHMLA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	c1cc2c(cc1C(=O)N)nc(c3c2cncc3)NCCNC=O
CACTVS 3.385	NC(=O)c1ccc2c(c1)nc(NCCNC=O)c3ccncc23
ACDLabs 14.52	NC(=O)c1cc2nc(NCCNC=O)c3ccncc3c2cc1

Name:

5-[(2-formamidoethyl)amino]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).