SEQ2FUN

BioLiP

PDB CCD ID: 2EC
Number of entries in BioLiP: 3
Chemical formula: C7 H9 N5
InChI: InChI=1S/C7H9N5/c1-2-12-4-11-5-6(8)9-3-10-7(5)12/h3-4H,2H2,1H3,(H2,8,9,10)
InChIKey: MUIPLRMGAXZWSQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CCn1cnc2c1ncnc2N
CACTVS 3.370CCn1cnc2c(N)ncnc12
ACDLabs 12.01n1c(c2ncn(c2nc1)CC)N
Name:9-ETHYL-9H-PURIN-6-YLAMINE
ChEMBL: CHEMBL304009
ZINC: ZINC000000402896
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).