SEQ2FUN

BioLiP

PDB CCD ID: NSP
Number of entries in BioLiP: 0
Chemical formula: C6 H10 N4
InChI: InChI=1S/C6H10N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,2,7H2,1H3,(H2,8,9,10)
InChIKey: OZOHTVFCSKFMLL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n1c(N)c(cnc1C)CN
OpenEye OEToolkits 1.5.0Cc1ncc(c(n1)N)CN
CACTVS 3.341Cc1ncc(CN)c(N)n1
Name:5-(AMINOMETHYL)-2-METHYLPYRIMIDIN-4-AMINE
DrugBank: DB03204
ZINC: ZINC000000336542
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).