SEQ2FUN

BioLiP

PDB CCD ID: 4RI
Number of entries in BioLiP: 5
Chemical formula: C16 H22 N4
InChI: InChI=1S/C16H22N4/c1-2-3-4-8-11-13-14(12-9-6-5-7-10-12)15(17)20-16(18)19-13/h5-7,9-10H,2-4,8,11H2,1H3,(H4,17,18,19,20)
InChIKey: DBCDYKFZHWOABJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCc1c(c(nc(n1)N)N)c2ccccc2
CACTVS 3.385CCCCCCc1nc(N)nc(N)c1c2ccccc2
Name:6-hexyl-5-phenyl-pyrimidine-2,4-diamine
ChEMBL: CHEMBL416552
ZINC: ZINC000013472725
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).