BioLiP

PDB

BioLiP

PDB CCD ID:

IXE

Number of entries in BioLiP:

Chemical formula:

C14 H11 F3 N6

InChI:

InChI=1S/C14H11F3N6/c1-23(6-3-9(15)11(17)10(16)4-6)7-2-8-12(18)21-14(19)22-13(8)20-5-7/h2-5H,1H3,(H4,18,19,20,21,22)

InChIKey:

RYXUPKGYPPPMSC-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Fc1cc(cc(F)c1F)N(c2cc3c(nc2)nc(nc3N)N)C
OpenEye OEToolkits 1.7.6	CN(c1cc(c(c(c1)F)F)F)c2cc3c(nc(nc3nc2)N)N
CACTVS 3.370	CN(c1cnc2nc(N)nc(N)c2c1)c3cc(F)c(F)c(F)c3

Name:

N~6~-methyl-N~6~-(3,4,5-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine

ChEMBL:

CHEMBL2382336

ZINC:

ZINC000095921390

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).