BioLiP

PDB

BioLiP

PDB CCD ID:

9BD

Number of entries in BioLiP:

Chemical formula:

C19 H19 N5 O3

InChI:

InChI=1S/C19H19N5O3/c1-25-5-6-27-17-9-15-13(7-16(17)26-2)12-8-18(24-4-3-21-11-24)23-19(20)14(12)10-22-15/h3-4,7-11H,5-6H2,1-2H3,(H2,20,23)

InChIKey:

QSSGYSRUMIOURP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	COCCOc1cc2c(cc1OC)c3cc(nc(c3cn2)N)n4ccnc4
CACTVS 3.341	COCCOc1cc2ncc3c(N)nc(cc3c2cc1OC)n4ccnc4
ACDLabs 10.04	n1c(c3c(cc1n2ccnc2)c4cc(OC)c(OCCOC)cc4nc3)N

Name:

2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine

ChEMBL:

CHEMBL571159

DrugBank:

DB07300

ZINC:

ZINC000045256308

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).