SEQ2FUN

BioLiP

PDB CCD ID: DYZ
Number of entries in BioLiP: 1
Chemical formula: C14 H14 N4 O2
InChI: InChI=1S/C14H14N4O2/c1-2-17-9-15-12-11(17)13(19)16-14(20)18(12)8-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3,(H,16,19,20)
InChIKey: XEPOHOPPWDSWQR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCn1cnc2c1C(=O)NC(=O)N2Cc3ccccc3
CACTVS 3.385CCn1cnc2N(Cc3ccccc3)C(=O)NC(=O)c12
Name:7-ethyl-3-(phenylmethyl)purine-2,6-dione
ChEMBL: CHEMBL1721265
ZINC: ZINC000003886299
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).