BioLiP

PDB

BioLiP

PDB CCD ID:

253

Number of entries in BioLiP:

Chemical formula:

C19 H18 N4 O2

InChI:

InChI=1S/C19H18N4O2/c1-9-13(20)5-4-10-17-11-6-15(24-2)16(25-3)7-14(11)22-8-12(17)19(21)23-18(9)10/h4-8H,20H2,1-3H3,(H2,21,23)

InChIKey:

NVINUNQBDNEMSY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	COc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OC
OpenEye OEToolkits 1.5.0	Cc1c(ccc2c1nc(c3c2c4cc(c(cc4nc3)OC)OC)N)N
ACDLabs 10.04	n2c1cc(OC)c(OC)cc1c4c(c2)c(nc3c(c(N)ccc34)C)N

Name:

10,11-dimethoxy-4-methyldibenzo[c,f]-2,7-naphthyridine-3,6-diamine

ChEMBL:

CHEMBL235157

DrugBank:

DB06932

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).