SEQ2FUN

BioLiP

PDB CCD ID: YF4
Number of entries in BioLiP: 2
Chemical formula: C9 H16 N4
InChI: InChI=1S/C9H16N4/c1-4-13(3)6-8-5-11-7(2)12-9(8)10/h5H,4,6H2,1-3H3,(H2,10,11,12)
InChIKey: UMZINNCUCWRLDQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCN(C)Cc1cnc(nc1N)C
ACDLabs 10.04n1c(N)c(cnc1C)CN(CC)C
CACTVS 3.341CCN(C)Cc1cnc(C)nc1N
Name:5-{[ETHYL(METHYL)AMINO]METHYL}-2-METHYL-5,6-DIHYDROPYRIMIDIN-4-AMINE
DrugBank: DB03653
ZINC: ZINC000005839322
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).