BioLiP

PDB

BioLiP

PDB CCD ID:

ZO6

Number of entries in BioLiP:

Chemical formula:

C10 H6 N2 S

InChI:

InChI=1S/C10H6N2S/c1-3-11-6-8-7(1)5-12-9-2-4-13-10(8)9/h1-6H

InChIKey:

NKBQKUDYRMOAKU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	c1cncc2c1cnc3c2scc3
CACTVS 3.385	s1ccc2ncc3ccncc3c12
ACDLabs 12.01	n2cc1ccncc1c3sccc23

Name:

thieno[3,2-c][2,6]naphthyridine

ZINC:

ZINC000000481000

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).