SEQ2FUN

BioLiP

PDB CCD ID: A1BNU
Number of entries in BioLiP: 0
Chemical formula: C7 H13 N5
InChI: InChI=1S/C7H13N5/c1-12(5-3-8)6-2-4-10-7(9)11-6/h2,4H,3,5,8H2,1H3,(H2,9,10,11)
InChIKey: YHRLGNNOULBZCH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52
CACTVS 3.385		CN(CCN)c1ccnc(N)n1
OpenEye OEToolkits 3.1.0.0CN(CCN)c1ccnc(n1)N
Name:N~4~-(2-aminoethyl)-N~4~-methylpyrimidine-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).