SEQ2FUN

BioLiP

PDB CCD ID: O10
Number of entries in BioLiP: 2
Chemical formula: C10 H5 Br Cl N5
InChI: InChI=1S/C10H5BrClN5/c11-6-3-14-10(12)16-9(6)17-2-1-7-8(17)4-13-5-15-7/h1-5H
InChIKey: VSZVVLDJLHIOHV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cn(c2c1ncnc2)c3c(cnc(n3)Cl)Br
CACTVS 3.385Clc1ncc(Br)c(n1)n2ccc3ncncc23
ACDLabs 12.01Brc1cnc(Cl)nc1n1ccc2ncncc21
Name:(5M)-5-(5-bromo-2-chloropyrimidin-4-yl)-5H-pyrrolo[3,2-d]pyrimidine
ChEMBL: CHEMBL5178708
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).