BioLiP

PDB

BioLiP

PDB CCD ID:

DTM

Number of entries in BioLiP:

Chemical formula:

C18 H22 N6 O3

InChI:

InChI=1S/C18H22N6O3/c1-24(9-10-5-13(25-2)15(27-4)14(6-10)26-3)11-7-12-16(19)22-18(20)23-17(12)21-8-11/h5-8H,9H2,1-4H3,(H4,19,20,21,22,23)

InChIKey:

PUOZHLHNKHRTOW-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	n1cc(cc2c1nc(nc2N)N)N(Cc3cc(OC)c(OC)c(OC)c3)C
CACTVS 3.341	COc1cc(CN(C)c2cnc3nc(N)nc(N)c3c2)cc(OC)c1OC
OpenEye OEToolkits 1.5.0	CN(Cc1cc(c(c(c1)OC)OC)OC)c2cc3c(nc(nc3nc2)N)N

Name:

2,4-DIAMINO-6-[N-(3',4',5'-TRIMETHOXYBENZYL)-N-METHYLAMINO]PYRIDO[2,3-D]PYRIMIDINE

ChEMBL:

CHEMBL32190

DrugBank:

DB02919

ZINC:

ZINC000002047693

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).