BioLiP

PDB

BioLiP

PDB CCD ID:

33M

Number of entries in BioLiP:

Chemical formula:

C18 H16 N6

InChI:

InChI=1S/C18H16N6/c1-24(15-8-4-6-11-5-2-3-7-13(11)15)12-9-14-16(19)22-18(20)23-17(14)21-10-12/h2-10H,1H3,(H4,19,20,21,22,23)

InChIKey:

QNASXWBMQABDSW-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(c1cnc2nc(N)nc(N)c2c1)c3cccc4ccccc34
OpenEye OEToolkits 1.7.6	CN(c1cccc2c1cccc2)c3cc4c(nc(nc4nc3)N)N
ACDLabs 12.01	n1cc(cc2c1nc(nc2N)N)N(c4c3ccccc3ccc4)C

Name:

N~6~-methyl-N~6~-(naphthalen-1-yl)pyrido[2,3-d]pyrimidine-2,4,6-triamine

ChEMBL:

CHEMBL2382334

ZINC:

ZINC000096269959

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).