SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C14 H14 N6

InChI:

InChI=1S/C14H14N6/c1-20(9-5-3-2-4-6-9)10-7-11-12(15)18-14(16)19-13(11)17-8-10/h2-8H,1H3,(H4,15,16,17,18,19)

InChIKey:

GPOMGDQKAATFBU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CN(c1ccccc1)c2cnc3nc(N)nc(N)c3c2
ACDLabs 12.01	n1cc(cc2c1nc(nc2N)N)N(c3ccccc3)C
OpenEye OEToolkits 1.7.6	CN(c1ccccc1)c2cc3c(nc(nc3nc2)N)N

Name:

N~6~-methyl-N~6~-phenylpyrido[2,3-d]pyrimidine-2,4,6-triamine

ChEMBL:

ZINC:

ZINC000095921391

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).