SEQ2FUN

BioLiP

PDB CCD ID: CP7
Number of entries in BioLiP: 2
Chemical formula: C12 H14 N4
InChI: InChI=1S/C12H14N4/c1-2-9-10(8-6-4-3-5-7-8)11(13)16-12(14)15-9/h3-7H,2H2,1H3,(H4,13,14,15,16)
InChIKey: XREDUPOVEQDQQS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04n1c(c(c(nc1N)N)c2ccccc2)CC
CACTVS 3.341CCc1nc(N)nc(N)c1c2ccccc2
OpenEye OEToolkits 1.5.0CCc1c(c(nc(n1)N)N)c2ccccc2
Name:6-ETHYL-5-PHENYLPYRIMIDINE-2,4-DIAMINE
ChEMBL: CHEMBL22148
DrugBank: DB07577
ZINC: ZINC000013282257
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).