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BioLiP Library

PDB CCD ID: LZJ
Number of entries in BioLiP: 3
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:
SoftwareSMILES
ACDLabs 10.04Brc3cccc(Br)c3c1cc2c(nc1N)nc(nc2)N
CACTVS 3.341Nc1ncc2cc(c(N)nc2n1)c3c(Br)cccc3Br
OpenEye OEToolkits 1.5.0c1cc(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, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).