BioLiP

PDB

BioLiP

PDB CCD ID:

LZJ

Number of entries in BioLiP:

Chemical formula:

C13 H9 Br2 N5

InChI:

InChI=1S/C13H9Br2N5/c14-8-2-1-3-9(15)10(8)7-4-6-5-18-13(17)20-12(6)19-11(7)16/h1-5H,(H4,16,17,18,19,20)

InChIKey:

HGIPWJYTPOHUGK-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	Brc3cccc(Br)c3c1cc2c(nc1N)nc(nc2)N
CACTVS 3.341	Nc1ncc2cc(c(N)nc2n1)c3c(Br)cccc3Br
OpenEye OEToolkits 1.5.0	c1cc(c(c(c1)Br)c2cc3cnc(nc3nc2N)N)Br

Name:

6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine

ChEMBL:

CHEMBL57531

DrugBank:

DB08144

ZINC:

ZINC000013862907

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).