SEQ2FUN

BioLiP

PDB CCD ID: 29G
Number of entries in BioLiP: 0
Chemical formula: C6 H6 N6
InChI: InChI=1S/C6H6N6/c7-4-3-1-9-2-10-5(3)12-6(8)11-4/h1-2H,(H4,7,8,9,10,11,12)
InChIKey: CEXXKZCAMOMPLI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n1cc2c(nc1)nc(nc2N)N
CACTVS 3.385Nc1nc(N)c2cncnc2n1
OpenEye OEToolkits 1.7.6c1c2c(nc(nc2ncn1)N)N
Name:pyrimido[4,5-d]pyrimidine-2,4-diamine
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).